Organic zwitterions

Organic zwitterions (from the German Zwitter meaning hermaphrodite) are organic molecules that contain the same number of positively charged functional groups and negatively charged functional groups; also called inner salts.

1 – 15 of 108 results

Titanium(IV) isopropoxide, 98+%, Thermo Scientific Chemicals

CAS: 546-68-9 Molecular Formula: C₁₂H₂₈O₄Ti Molecular Weight (g/mol): 284.26 InChI Key: VXUYXOFXAQZZMF-UHFFFAOYSA-N Synonym: titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate PubChem CID: 11026 IUPAC Name: propan-2-olate;titanium(4+) SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

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PubChem CID	11026
CAS	546-68-9
Molecular Weight (g/mol)	284.26
SMILES	CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
Synonym	titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate
IUPAC Name	propan-2-olate;titanium(4+)
InChI Key	VXUYXOFXAQZZMF-UHFFFAOYSA-N
Molecular Formula	C₁₂H₂₈O₄Ti

Titanium(IV) isopropoxide, 95%, Thermo Scientific Chemicals

CAS: 546-68-9 Molecular Formula: C12H28O4Ti Molecular Weight (g/mol): 284.219 MDL Number: MFCD00008871 InChI Key: VXUYXOFXAQZZMF-UHFFFAOYSA-N Synonym: titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate PubChem CID: 11026 IUPAC Name: propan-2-olate;titanium(4+) SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

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PubChem CID	11026
CAS	546-68-9
Molecular Weight (g/mol)	284.219
MDL Number	MFCD00008871
SMILES	CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
Synonym	titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate
IUPAC Name	propan-2-olate;titanium(4+)
InChI Key	VXUYXOFXAQZZMF-UHFFFAOYSA-N
Molecular Formula	C12H28O4Ti

Zinc tert-butoxide, Thermo Scientific Chemicals

CAS: 4278-43-7 Molecular Formula: C8H18O2Zn Molecular Weight (g/mol): 211.61 MDL Number: MFCD00145545 InChI Key: DVGVEVPHJQJMPP-UHFFFAOYSA-N Synonym: zinc tert-butoxide,di-tert-butoxyzinc,acmc-20aj87,zinc bis 2-methylpropan-2-olate,zinc 2+ bis 2-methylpropan-2-olate,zinc 2+ ion bis 2-methylpropan-2-olate PubChem CID: 14178434 IUPAC Name: zinc;2-methylpropan-2-olate SMILES: CC(C)(C)[O-].CC(C)(C)[O-].[Zn+2]

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PubChem CID	14178434
CAS	4278-43-7
Molecular Weight (g/mol)	211.61
MDL Number	MFCD00145545
SMILES	CC(C)(C)[O-].CC(C)(C)[O-].[Zn+2]
Synonym	zinc tert-butoxide,di-tert-butoxyzinc,acmc-20aj87,zinc bis 2-methylpropan-2-olate,zinc 2+ bis 2-methylpropan-2-olate,zinc 2+ ion bis 2-methylpropan-2-olate
IUPAC Name	zinc;2-methylpropan-2-olate
InChI Key	DVGVEVPHJQJMPP-UHFFFAOYSA-N
Molecular Formula	C8H18O2Zn

2-Nitroaniline, 98%, Thermo Scientific Chemicals

CAS: 88-74-4 Molecular Formula: C₆H₆N₂O₂ Molecular Weight (g/mol): 138.13 MDL Number: MFCD00007687 InChI Key: DPJCXCZTLWNFOH-UHFFFAOYSA-N Synonym: o-nitroaniline,benzenamine, 2-nitro,o-nitraniline,1-amino-2-nitrobenzene,2-nitrobenzenamine,aniline, o-nitro,devol orange b,orange grs salt,o-aminonitrobenzene,2-aminonitrobenzene PubChem CID: 6946 IUPAC Name: 2-nitroaniline SMILES: C1=CC=C(C(=C1)N)[N+](=O)[O-]

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PubChem CID	6946
CAS	88-74-4
Molecular Weight (g/mol)	138.13
MDL Number	MFCD00007687
SMILES	C1=CC=C(C(=C1)N)[N+](=O)[O-]
Synonym	o-nitroaniline,benzenamine, 2-nitro,o-nitraniline,1-amino-2-nitrobenzene,2-nitrobenzenamine,aniline, o-nitro,devol orange b,orange grs salt,o-aminonitrobenzene,2-aminonitrobenzene
IUPAC Name	2-nitroaniline
InChI Key	DPJCXCZTLWNFOH-UHFFFAOYSA-N
Molecular Formula	C₆H₆N₂O₂

4-Nitroaniline, 99%, Thermo Scientific Chemicals

CAS: 100-01-6 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00007858 InChI Key: TYMLOMAKGOJONV-UHFFFAOYSA-N Synonym: p-nitroaniline,p-nitraniline,4-nitrobenzenamine,p-aminonitrobenzene,4-nitraniline,benzenamine, 4-nitro,p-nitrophenylamine,1-amino-4-nitrobenzene,aniline, p-nitro,developer p PubChem CID: 7475 ChEBI: CHEBI:17064 IUPAC Name: 4-nitroaniline SMILES: NC1=CC=C(C=C1)[N+]([O-])=O

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PubChem CID	7475
CAS	100-01-6
Molecular Weight (g/mol)	138.13
ChEBI	CHEBI:17064
MDL Number	MFCD00007858
SMILES	NC1=CC=C(C=C1)[N+]([O-])=O
Synonym	p-nitroaniline,p-nitraniline,4-nitrobenzenamine,p-aminonitrobenzene,4-nitraniline,benzenamine, 4-nitro,p-nitrophenylamine,1-amino-4-nitrobenzene,aniline, p-nitro,developer p
IUPAC Name	4-nitroaniline
InChI Key	TYMLOMAKGOJONV-UHFFFAOYSA-N
Molecular Formula	C6H6N2O2

5-Chloro-2-nitroaniline, 97%, Thermo Scientific Chemicals

CAS: 1635-61-6 Molecular Formula: C₆H₅ClN₂O₂ Molecular Weight (g/mol): 172.57 MDL Number: MFCD00007776 InChI Key: ZCWXYZBQDNFULS-UHFFFAOYSA-N Synonym: 2-nitro-5-chloroaniline,benzenamine, 5-chloro-2-nitro,3-chloro-6-nitroaniline,5-chloro-2-nitrobenzeneamine,aniline, 5-chloro-2-nitro,2-amino-4-chloro-nitrobenzene,unii-656xjm4con,5-chloro-2-nitrobenzenamine,ccris 8934,5-chloro-2-nitro aniline PubChem CID: 74218 IUPAC Name: 5-chloro-2-nitroaniline SMILES: C1=CC(=C(C=C1Cl)N)[N+](=O)[O-]

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Specifications

PubChem CID	74218
CAS	1635-61-6
Molecular Weight (g/mol)	172.57
MDL Number	MFCD00007776
SMILES	C1=CC(=C(C=C1Cl)N)[N+](=O)[O-]
Synonym	2-nitro-5-chloroaniline,benzenamine, 5-chloro-2-nitro,3-chloro-6-nitroaniline,5-chloro-2-nitrobenzeneamine,aniline, 5-chloro-2-nitro,2-amino-4-chloro-nitrobenzene,unii-656xjm4con,5-chloro-2-nitrobenzenamine,ccris 8934,5-chloro-2-nitro aniline
IUPAC Name	5-chloro-2-nitroaniline
InChI Key	ZCWXYZBQDNFULS-UHFFFAOYSA-N
Molecular Formula	C₆H₅ClN₂O₂

4,5-Dichloro-2-nitroaniline, 98%, Thermo Scientific Chemicals

CAS: 6641-64-1 Molecular Formula: C6H4Cl2N2O2 Molecular Weight (g/mol): 207.01 MDL Number: MFCD00007770 InChI Key: FSGTULQLEVAYRS-UHFFFAOYSA-N Synonym: 3,4-dichloro-6-nitroaniline,benzenamine, 4,5-dichloro-2-nitro,unii-3i0g2adu1l,2-nitro-4,5-dichloroaniline,3i0g2adu1l,4,5-dichloro-2-nitro-aniline,4,5-dichloro-2-nitrobenzenamine,4,5-dichlor-2-nitroanilin,pubchem3466,acmc-1b6pu PubChem CID: 81149 IUPAC Name: 4,5-dichloro-2-nitroaniline SMILES: C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])N

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Specifications

PubChem CID	81149
CAS	6641-64-1
Molecular Weight (g/mol)	207.01
MDL Number	MFCD00007770
SMILES	C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])N
Synonym	3,4-dichloro-6-nitroaniline,benzenamine, 4,5-dichloro-2-nitro,unii-3i0g2adu1l,2-nitro-4,5-dichloroaniline,3i0g2adu1l,4,5-dichloro-2-nitro-aniline,4,5-dichloro-2-nitrobenzenamine,4,5-dichlor-2-nitroanilin,pubchem3466,acmc-1b6pu
IUPAC Name	4,5-dichloro-2-nitroaniline
InChI Key	FSGTULQLEVAYRS-UHFFFAOYSA-N
Molecular Formula	C6H4Cl2N2O2

Titanium(IV) ethoxide, 33-35% TiO2, Thermo Scientific Chemicals

CAS: 3087-36-3 Molecular Formula: C₈H₂₀O₄Ti Molecular Weight (g/mol): 228.15 InChI Key: JMXKSZRRTHPKDL-UHFFFAOYSA-N Synonym: titanium iv ethoxide,ethyl titanate,titanium tetraethoxide,titanium ethoxide,tetraethyl titanate,titanium iv ethanolate,titanium 4+ tetraethanolate,titanium 4+ ethanolate PubChem CID: 76524 IUPAC Name: ethanolate;titanium(4+) SMILES: CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4]

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PubChem CID	76524
CAS	3087-36-3
Molecular Weight (g/mol)	228.15
SMILES	CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4]
Synonym	titanium iv ethoxide,ethyl titanate,titanium tetraethoxide,titanium ethoxide,tetraethyl titanate,titanium iv ethanolate,titanium 4+ tetraethanolate,titanium 4+ ethanolate
IUPAC Name	ethanolate;titanium(4+)
InChI Key	JMXKSZRRTHPKDL-UHFFFAOYSA-N
Molecular Formula	C₈H₂₀O₄Ti

Zirconium(IV) n-propoxide, 70% w/w in n-propanol, packaged under Argon in resealable ChemSeal™ bottles, Thermo Scientific Chemicals

CAS: 23519-77-9 Molecular Formula: C12H28O4Zr Molecular Weight (g/mol): 327.58 MDL Number: MFCD00015307 InChI Key: XPGAWFIWCWKDDL-UHFFFAOYSA-N Synonym: zirconium iv tetrapropoxide,zirconium iv propoxide,unii-a7z4n4e80x,1-propanol, zirconium 4+ salt,zirconium propoxide,zirconium n-propoxide,1-propanol, zirconium 4+ salt 4:1,zirconium iv propoxide solution,zirconium tetrapropanolate,propyl alcohol, zirconium 4+ salt PubChem CID: 90139 IUPAC Name: propan-1-olate;zirconium(4+) SMILES: CCCO[Zr](OCCC)(OCCC)OCCC

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PubChem CID	90139
CAS	23519-77-9
Molecular Weight (g/mol)	327.58
MDL Number	MFCD00015307
SMILES	CCCO[Zr](OCCC)(OCCC)OCCC
Synonym	zirconium iv tetrapropoxide,zirconium iv propoxide,unii-a7z4n4e80x,1-propanol, zirconium 4+ salt,zirconium propoxide,zirconium n-propoxide,1-propanol, zirconium 4+ salt 4:1,zirconium iv propoxide solution,zirconium tetrapropanolate,propyl alcohol, zirconium 4+ salt
IUPAC Name	propan-1-olate;zirconium(4+)
InChI Key	XPGAWFIWCWKDDL-UHFFFAOYSA-N
Molecular Formula	C12H28O4Zr

Niobium(V) ethoxide, 99.99% (metals basis), Ta <500ppm, Thermo Scientific Chemicals

CAS: 3236-82-6 Molecular Formula: C10H25NbO5 Molecular Weight (g/mol): 318.21 MDL Number: MFCD00015122 InChI Key: ZTILUDNICMILKJ-UHFFFAOYSA-N Synonym: niobium ethoxide,niobium 5+ ethanolate,ethanol, niobium 5+ salt,niobium 5+ ion pentakis ethoxide,pentaethoxyniobium,niobium pentaethoxide,ethanol, niobium 5+ salt 5:1,acmc-1cmht,niobium v pentaethoxide,ethanolate; niobium 5+ PubChem CID: 160675 IUPAC Name: ethanolate;niobium(5+) SMILES: CCO[Nb](OCC)(OCC)(OCC)OCC

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PubChem CID	160675
CAS	3236-82-6
Molecular Weight (g/mol)	318.21
MDL Number	MFCD00015122
SMILES	CCO[Nb](OCC)(OCC)(OCC)OCC
Synonym	niobium ethoxide,niobium 5+ ethanolate,ethanol, niobium 5+ salt,niobium 5+ ion pentakis ethoxide,pentaethoxyniobium,niobium pentaethoxide,ethanol, niobium 5+ salt 5:1,acmc-1cmht,niobium v pentaethoxide,ethanolate; niobium 5+
IUPAC Name	ethanolate;niobium(5+)
InChI Key	ZTILUDNICMILKJ-UHFFFAOYSA-N
Molecular Formula	C10H25NbO5

2-Nitroethanol, 97%, Thermo Scientific Chemicals

CAS: 625-48-9 Molecular Formula: C₂H₅NO₃ Molecular Weight (g/mol): 91.07 MDL Number: MFCD00007405 InChI Key: KIPMDPDAFINLIV-UHFFFAOYSA-N Synonym: ethanol, 2-nitro,2-nitroethan-1-ol,beta-nitroalcohol,beta-nitroethanol,2-nitro-ethanol,.beta.-nitroethanol,ccris 6076,2 nitroethanol,pubchem14208,2-nitroethanol PubChem CID: 12252 IUPAC Name: 2-nitroethanol SMILES: C(CO)[N+](=O)[O-]

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PubChem CID	12252
CAS	625-48-9
Molecular Weight (g/mol)	91.07
MDL Number	MFCD00007405
SMILES	C(CO)[N+](=O)[O-]
Synonym	ethanol, 2-nitro,2-nitroethan-1-ol,beta-nitroalcohol,beta-nitroethanol,2-nitro-ethanol,.beta.-nitroethanol,ccris 6076,2 nitroethanol,pubchem14208,2-nitroethanol
IUPAC Name	2-nitroethanol
InChI Key	KIPMDPDAFINLIV-UHFFFAOYSA-N
Molecular Formula	C₂H₅NO₃

Tantalum(V) methoxide, Thermo Scientific Chemicals

CAS: 865-35-0 Molecular Formula: C5H15O5Ta Molecular Weight (g/mol): 336.118 MDL Number: MFCD00058817 InChI Key: QASMZJKUEABJNR-UHFFFAOYSA-N PubChem CID: 12787641 IUPAC Name: methanolate;tantalum(5+) SMILES: C[O-].C[O-].C[O-].C[O-].C[O-].[Ta+5]

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Specifications

PubChem CID	12787641
CAS	865-35-0
Molecular Weight (g/mol)	336.118
MDL Number	MFCD00058817
SMILES	C[O-].C[O-].C[O-].C[O-].C[O-].[Ta+5]
IUPAC Name	methanolate;tantalum(5+)
InChI Key	QASMZJKUEABJNR-UHFFFAOYSA-N
Molecular Formula	C5H15O5Ta

6-Nitro-2(3H)-benzoxazolone, 98%, Thermo Scientific Chemicals

CAS: 4694-91-1 Molecular Formula: C7H4N2O4 Molecular Weight (g/mol): 180.119 MDL Number: MFCD00463755 InChI Key: JGYJZHYTADCWIK-UHFFFAOYSA-N Synonym: 6-nitrobenzo d oxazol-2 3h-one,6-nitro-2-benzoxazolinone,2 3h-benzoxazolone, 6-nitro,6-nitrobenzoxazolinone,6-nitro benzoxazolinone,6-nitro-3h-benzooxazol-2-one,6-nitrobenzoxazol-2 3h-one,6-nitrobenzoxazolone,6-nitrobenzoxazole-2 3h-one,6-nitro-1,3-benzoxazol-2 3h-one PubChem CID: 78419 IUPAC Name: 6-nitro-3H-1,3-benzoxazol-2-one SMILES: C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2

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PubChem CID	78419
CAS	4694-91-1
Molecular Weight (g/mol)	180.119
MDL Number	MFCD00463755
SMILES	C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2
Synonym	6-nitrobenzo d oxazol-2 3h-one,6-nitro-2-benzoxazolinone,2 3h-benzoxazolone, 6-nitro,6-nitrobenzoxazolinone,6-nitro benzoxazolinone,6-nitro-3h-benzooxazol-2-one,6-nitrobenzoxazol-2 3h-one,6-nitrobenzoxazolone,6-nitrobenzoxazole-2 3h-one,6-nitro-1,3-benzoxazol-2 3h-one
IUPAC Name	6-nitro-3H-1,3-benzoxazol-2-one
InChI Key	JGYJZHYTADCWIK-UHFFFAOYSA-N
Molecular Formula	C7H4N2O4

4-Amino-3-nitrobenzonitrile, 98%, Thermo Scientific Chemicals

CAS: 6393-40-4 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.14 MDL Number: MFCD00013373 InChI Key: JAHADAZIDZMHOP-UHFFFAOYSA-N Synonym: 3-nitro-4-aminobenzonitrile,4-cyano-2-nitroaniline,benzonitrile, 4-amino-3-nitro,4-amino-3-nitro-benzonitrile,2-nitro-4-cyanoaniline,4-amino-3-nitrobenzenecarbonitrile,zlchem 228,pubchem4669,4-ammo-3-nitrobenzonitrile PubChem CID: 595901 IUPAC Name: 4-amino-3-nitrobenzonitrile SMILES: NC1=CC=C(C=C1[N+]([O-])=O)C#N

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Specifications

PubChem CID	595901
CAS	6393-40-4
Molecular Weight (g/mol)	163.14
MDL Number	MFCD00013373
SMILES	NC1=CC=C(C=C1[N+]([O-])=O)C#N
Synonym	3-nitro-4-aminobenzonitrile,4-cyano-2-nitroaniline,benzonitrile, 4-amino-3-nitro,4-amino-3-nitro-benzonitrile,2-nitro-4-cyanoaniline,4-amino-3-nitrobenzenecarbonitrile,zlchem 228,pubchem4669,4-ammo-3-nitrobenzonitrile
IUPAC Name	4-amino-3-nitrobenzonitrile
InChI Key	JAHADAZIDZMHOP-UHFFFAOYSA-N
Molecular Formula	C7H5N3O2

4-Bromo-2-nitroaniline, 98%, Thermo Scientific Chemicals

CAS: 875-51-4 Molecular Formula: C6H5BrN2O2 Molecular Weight (g/mol): 217.02 MDL Number: MFCD00041312 InChI Key: ZCWBZRBJSPWUPG-UHFFFAOYSA-N Synonym: benzenamine, 4-bromo-2-nitro,2-nitro-4-bromoaniline,4-bromo-o-nitroaniline,p-bromo-o-nitroaniline,4-bromo-2-nitro-phenylamine,4-bromo-2-nitrobenzeneamine,aniline, 4-bromo-2-nitro,4-bromo-2-nitrobenzenamine,1-amino-4-bromo-2-nitrobenzene,4-bromo-2-nitro-aniline PubChem CID: 70132 IUPAC Name: 4-bromo-2-nitroaniline SMILES: NC1=CC=C(Br)C=C1[N+]([O-])=O

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Specifications

PubChem CID	70132
CAS	875-51-4
Molecular Weight (g/mol)	217.02
MDL Number	MFCD00041312
SMILES	NC1=CC=C(Br)C=C1[N+]([O-])=O
Synonym	benzenamine, 4-bromo-2-nitro,2-nitro-4-bromoaniline,4-bromo-o-nitroaniline,p-bromo-o-nitroaniline,4-bromo-2-nitro-phenylamine,4-bromo-2-nitrobenzeneamine,aniline, 4-bromo-2-nitro,4-bromo-2-nitrobenzenamine,1-amino-4-bromo-2-nitrobenzene,4-bromo-2-nitro-aniline
IUPAC Name	4-bromo-2-nitroaniline
InChI Key	ZCWBZRBJSPWUPG-UHFFFAOYSA-N
Molecular Formula	C6H5BrN2O2

Organic zwitterions

Organic zwitterions

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