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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.
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Molecular Weight (g/mol)

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Keyword Search:
1 – 15 of 73 results
1

4-Nitroaniline, 98%

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

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
2

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

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

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
3

Tris(hydroxymethyl)nitromethane, 95%

CAS: 126-11-4 Molecular Formula: C4H9NO5 Molecular Weight (g/mol): 151.12 MDL Number: MFCD00007395 InChI Key: OLQJQHSAWMFDJE-UHFFFAOYSA-N Synonym: tris hydroxymethyl nitromethane,2-hydroxymethyl-2-nitropropane-1,3-diol,2-hydroxymethyl-2-nitro-1,3-propanediol,cimcool wafers,tris nitro,trimethylolnitromethane,isobutylglycerol, nitro,nitroisobutylglycerol,1,3-propanediol, 2-hydroxymethyl-2-nitro,methane, trimethylolnitro PubChem CID: 31337 IUPAC Name: 2-(hydroxymethyl)-2-nitropropane-1,3-diol SMILES: OCC(CO)(CO)[N+]([O-])=O

PubChem CID 31337
CAS 126-11-4
Molecular Weight (g/mol) 151.12
MDL Number MFCD00007395
SMILES OCC(CO)(CO)[N+]([O-])=O
Synonym tris hydroxymethyl nitromethane,2-hydroxymethyl-2-nitropropane-1,3-diol,2-hydroxymethyl-2-nitro-1,3-propanediol,cimcool wafers,tris nitro,trimethylolnitromethane,isobutylglycerol, nitro,nitroisobutylglycerol,1,3-propanediol, 2-hydroxymethyl-2-nitro,methane, trimethylolnitro
IUPAC Name 2-(hydroxymethyl)-2-nitropropane-1,3-diol
InChI Key OLQJQHSAWMFDJE-UHFFFAOYSA-N
Molecular Formula C4H9NO5
4

Antimony(III) ethoxide, 99.9% (metals basis)

CAS: 10433-06-4 Molecular Formula: C6H15O3Sb Molecular Weight (g/mol): 256.943 MDL Number: MFCD00015123 InChI Key: JGOJQVLHSPGMOC-UHFFFAOYSA-N Synonym: antimony triethoxide,triethoxyantimony,acmc-20alrx,sb oet 3,antimony iii ethoxide,antimony 3+ ; ethanolate,ethanol, antimony 3+ salt 9ci,antimony 3+ tris ethoxide,antimony 3+ ion tris ethoxide PubChem CID: 66326 IUPAC Name: antimony(3+);ethanolate SMILES: CC[O-].CC[O-].CC[O-].[Sb+3]

PubChem CID 66326
CAS 10433-06-4
Molecular Weight (g/mol) 256.943
MDL Number MFCD00015123
SMILES CC[O-].CC[O-].CC[O-].[Sb+3]
Synonym antimony triethoxide,triethoxyantimony,acmc-20alrx,sb oet 3,antimony iii ethoxide,antimony 3+ ; ethanolate,ethanol, antimony 3+ salt 9ci,antimony 3+ tris ethoxide,antimony 3+ ion tris ethoxide
IUPAC Name antimony(3+);ethanolate
InChI Key JGOJQVLHSPGMOC-UHFFFAOYSA-N
Molecular Formula C6H15O3Sb
5

Zinc tert-butoxide

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]

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
6

2-Methyl-2-nitro-1,3-propanediol, 97%

CAS: 77-49-6 Molecular Formula: C4H9NO4 Molecular Weight (g/mol): 135.12 MDL Number: MFCD00024812 InChI Key: LOTYADDQWWVBDJ-UHFFFAOYSA-N Synonym: 2-methyl-2-nitro-1,3-propanediol,nmpd,2-nitro-2-methyl-1,3-propanediol,nitroisobutylglycol,1,3-propanediol, 2-methyl-2-nitro,2-methyl-2-nitropropanediol,1,1-dimethylol-1-nitroethane,caswell no. 573n,epa pesticide chemical code 573900,acmc-1basy PubChem CID: 6480 IUPAC Name: 2-methyl-2-nitropropane-1,3-diol SMILES: CC(CO)(CO)[N+]([O-])=O

PubChem CID 6480
CAS 77-49-6
Molecular Weight (g/mol) 135.12
MDL Number MFCD00024812
SMILES CC(CO)(CO)[N+]([O-])=O
Synonym 2-methyl-2-nitro-1,3-propanediol,nmpd,2-nitro-2-methyl-1,3-propanediol,nitroisobutylglycol,1,3-propanediol, 2-methyl-2-nitro,2-methyl-2-nitropropanediol,1,1-dimethylol-1-nitroethane,caswell no. 573n,epa pesticide chemical code 573900,acmc-1basy
IUPAC Name 2-methyl-2-nitropropane-1,3-diol
InChI Key LOTYADDQWWVBDJ-UHFFFAOYSA-N
Molecular Formula C4H9NO4
7

Titanium(IV) isopropoxide, 95%

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]

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
8

2-Amino-5-nitrobenzonitrile, 95%

CAS: 17420-30-3 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.136 MDL Number: MFCD00007362 InChI Key: MGCGMYPNXAFGFA-UHFFFAOYSA-N Synonym: 5-nitroanthranilonitrile,2-cyano-4-nitroaniline,benzonitrile, 2-amino-5-nitro,2-kyan-4-nitroanilin,unii-sez79wra1j,2-amino-5-nitro-benzonitrile,ccris 9092,2-kyan-4-nitroanilin czech,aniline, 2-cyano-4-nitro,sez79wra1j PubChem CID: 28532 IUPAC Name: 2-amino-5-nitrobenzonitrile SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C#N)N

PubChem CID 28532
CAS 17420-30-3
Molecular Weight (g/mol) 163.136
MDL Number MFCD00007362
SMILES C1=CC(=C(C=C1[N+](=O)[O-])C#N)N
Synonym 5-nitroanthranilonitrile,2-cyano-4-nitroaniline,benzonitrile, 2-amino-5-nitro,2-kyan-4-nitroanilin,unii-sez79wra1j,2-amino-5-nitro-benzonitrile,ccris 9092,2-kyan-4-nitroanilin czech,aniline, 2-cyano-4-nitro,sez79wra1j
IUPAC Name 2-amino-5-nitrobenzonitrile
InChI Key MGCGMYPNXAFGFA-UHFFFAOYSA-N
Molecular Formula C7H5N3O2
9

2-Nitro-p-phenylenediamine, 95%

CAS: 5307-14-2 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.141 MDL Number: MFCD00007903 InChI Key: HVHNMNGARPCGGD-UHFFFAOYSA-N Synonym: 2-nitro-1,4-phenylenediamine,1,4-diamino-2-nitrobenzene,2-nitro-p-phenylenediamine,2,5-diaminonitrobenzene,1,4-benzenediamine, 2-nitro,durafur brown,2-nitro-1,4-benzenediamine,o-nitro-p-phenylenediamine,4-amino-2-nitroaniline,fouramine 2r PubChem CID: 4338370 ChEBI: CHEBI:76394 IUPAC Name: 2-nitrobenzene-1,4-diamine SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])N

PubChem CID 4338370
CAS 5307-14-2
Molecular Weight (g/mol) 153.141
ChEBI CHEBI:76394
MDL Number MFCD00007903
SMILES C1=CC(=C(C=C1N)[N+](=O)[O-])N
Synonym 2-nitro-1,4-phenylenediamine,1,4-diamino-2-nitrobenzene,2-nitro-p-phenylenediamine,2,5-diaminonitrobenzene,1,4-benzenediamine, 2-nitro,durafur brown,2-nitro-1,4-benzenediamine,o-nitro-p-phenylenediamine,4-amino-2-nitroaniline,fouramine 2r
IUPAC Name 2-nitrobenzene-1,4-diamine
InChI Key HVHNMNGARPCGGD-UHFFFAOYSA-N
Molecular Formula C6H7N3O2
10

5-Nitrobenzimidazole, 98+%

CAS: 94-52-0 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.14 MDL Number: MFCD00005604 InChI Key: XPAZGLFMMUODDK-UHFFFAOYSA-N Synonym: 5-nitrobenzimidazole,6-nitrobenzimidazole,5-nitro-1h-benzo d imidazole,5-nitro-1h-benzimidazole,1h-benzimidazole, 5-nitro,1h-benzimidazole, 6-nitro,6-nitro-benzimidazole,5 6-nitrobenzimidazole,benzimidazole, 5-nitro,benzimidazole, 6-nitro PubChem CID: 7195 IUPAC Name: 6-nitro-1H-benzimidazole SMILES: [O-][N+](=O)C1=CC=C2N=CNC2=C1

PubChem CID 7195
CAS 94-52-0
Molecular Weight (g/mol) 163.14
MDL Number MFCD00005604
SMILES [O-][N+](=O)C1=CC=C2N=CNC2=C1
Synonym 5-nitrobenzimidazole,6-nitrobenzimidazole,5-nitro-1h-benzo d imidazole,5-nitro-1h-benzimidazole,1h-benzimidazole, 5-nitro,1h-benzimidazole, 6-nitro,6-nitro-benzimidazole,5 6-nitrobenzimidazole,benzimidazole, 5-nitro,benzimidazole, 6-nitro
IUPAC Name 6-nitro-1H-benzimidazole
InChI Key XPAZGLFMMUODDK-UHFFFAOYSA-N
Molecular Formula C7H5N3O2
11

4,5-Difluoro-2-nitroaniline, 98%

CAS: 78056-39-0 Molecular Formula: C6H4F2N2O2 Molecular Weight (g/mol): 174.11 MDL Number: MFCD00010876 InChI Key: WDMCABATCGQAKK-UHFFFAOYSA-N Synonym: 3,4-difluoro-6-nitroaniline,benzenamine, 4,5-difluoro-2-nitro,4,5-difluoro-2-nitro-aniline,4,5-difluoro-2-nitrophenylamine,2-nitro-4,5-difluoroaniline,2-amino-4,5-difluoronitrobenzene,4,5-difluoro-2-nitro-phenylamine,4,5-difluoro-2-nitrobenzenamine,pubchem2121,acmc-209pdb PubChem CID: 157151 IUPAC Name: 4,5-difluoro-2-nitroaniline SMILES: NC1=CC(F)=C(F)C=C1[N+]([O-])=O

PubChem CID 157151
CAS 78056-39-0
Molecular Weight (g/mol) 174.11
MDL Number MFCD00010876
SMILES NC1=CC(F)=C(F)C=C1[N+]([O-])=O
Synonym 3,4-difluoro-6-nitroaniline,benzenamine, 4,5-difluoro-2-nitro,4,5-difluoro-2-nitro-aniline,4,5-difluoro-2-nitrophenylamine,2-nitro-4,5-difluoroaniline,2-amino-4,5-difluoronitrobenzene,4,5-difluoro-2-nitro-phenylamine,4,5-difluoro-2-nitrobenzenamine,pubchem2121,acmc-209pdb
IUPAC Name 4,5-difluoro-2-nitroaniline
InChI Key WDMCABATCGQAKK-UHFFFAOYSA-N
Molecular Formula C6H4F2N2O2
12

4-Fluoro-2-nitroaniline, 98%

CAS: 364-78-3 Molecular Formula: C6H5FN2O2 Molecular Weight (g/mol): 156.12 MDL Number: MFCD00007830 InChI Key: PUGDHSSOXPHLPT-UHFFFAOYSA-N Synonym: 2-nitro-4-fluoroaniline,4-fluoro-2-nitrophenylamine,4-fluoro-2-nitrobenzeneamine,4-fluoro-2-nitrobenzenamine,benzenamine, 4-fluoro-2-nitro,2-amino-5-fluoronitrobenzene,4-fluoro-2-nitro-aniline,4-fluoro-2-nitro-phenylamine,4-fluor-2-nitroanilin,pubchem3421 PubChem CID: 67769 IUPAC Name: 4-fluoro-2-nitroaniline SMILES: NC1=CC=C(F)C=C1[N+]([O-])=O

PubChem CID 67769
CAS 364-78-3
Molecular Weight (g/mol) 156.12
MDL Number MFCD00007830
SMILES NC1=CC=C(F)C=C1[N+]([O-])=O
Synonym 2-nitro-4-fluoroaniline,4-fluoro-2-nitrophenylamine,4-fluoro-2-nitrobenzeneamine,4-fluoro-2-nitrobenzenamine,benzenamine, 4-fluoro-2-nitro,2-amino-5-fluoronitrobenzene,4-fluoro-2-nitro-aniline,4-fluoro-2-nitro-phenylamine,4-fluor-2-nitroanilin,pubchem3421
IUPAC Name 4-fluoro-2-nitroaniline
InChI Key PUGDHSSOXPHLPT-UHFFFAOYSA-N
Molecular Formula C6H5FN2O2
13

Manganese(II) methoxide

CAS: 7245-20-7 Molecular Formula: C2H6MnO2 Molecular Weight (g/mol): 117.006 MDL Number: MFCD00061476 InChI Key: UQIRCVPINUNHQY-UHFFFAOYSA-N Synonym: manganese ii methoxide,acmc-20akkm,dimethoxymanganese ii,manganese ii bis methoxide,manganese 2+ bis methoxide,manganese 2+ ion bis methoxide PubChem CID: 10219413 IUPAC Name: manganese(2+);methanolate SMILES: C[O-].C[O-].[Mn+2]

PubChem CID 10219413
CAS 7245-20-7
Molecular Weight (g/mol) 117.006
MDL Number MFCD00061476
SMILES C[O-].C[O-].[Mn+2]
Synonym manganese ii methoxide,acmc-20akkm,dimethoxymanganese ii,manganese ii bis methoxide,manganese 2+ bis methoxide,manganese 2+ ion bis methoxide
IUPAC Name manganese(2+);methanolate
InChI Key UQIRCVPINUNHQY-UHFFFAOYSA-N
Molecular Formula C2H6MnO2
14

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

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
15

2-Nitroimidazole, 98%

CAS: 527-73-1 Molecular Formula: C3H3N3O2 Molecular Weight (g/mol): 113.08 MDL Number: MFCD00005185 InChI Key: YZEUHQHUFTYLPH-UHFFFAOYSA-N Synonym: 2-nitroimidazole,azomycin,amicin,nitroimidazole,1h-imidazole, 2-nitro,imidazole, 2-nitro,2-nitroimidazol,2-nitro-imidazole,unii-k8e96xl55d,azomycin 2-nitroimidazole PubChem CID: 10701 ChEBI: CHEBI:67135 IUPAC Name: 2-nitro-1H-imidazole SMILES: [O-][N+](=O)C1=NC=CN1

PubChem CID 10701
CAS 527-73-1
Molecular Weight (g/mol) 113.08
ChEBI CHEBI:67135
MDL Number MFCD00005185
SMILES [O-][N+](=O)C1=NC=CN1
Synonym 2-nitroimidazole,azomycin,amicin,nitroimidazole,1h-imidazole, 2-nitro,imidazole, 2-nitro,2-nitroimidazol,2-nitro-imidazole,unii-k8e96xl55d,azomycin 2-nitroimidazole
IUPAC Name 2-nitro-1H-imidazole
InChI Key YZEUHQHUFTYLPH-UHFFFAOYSA-N
Molecular Formula C3H3N3O2