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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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1 – 15 of 110 results
1

2-Nitroethanol, tech. 80%

CAS: 625-48-9 Molecular Formula: C2H5NO3 Molecular Weight (g/mol): 91.066 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-]

PubChem CID 12252
CAS 625-48-9
Molecular Weight (g/mol) 91.066
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
2

Titanium(IV) tert-butoxide, 98%

CAS: 3087-39-6 Molecular Formula: C16H36O4Ti Molecular Weight (g/mol): 340.33 MDL Number: MFCD00040554 InChI Key: GRWPYGBKJYICOO-UHFFFAOYSA-N Synonym: unii-px6yr1s99s,px6yr1s99s,titanium iv tert-butoxide,titanium tetra-tert-butoxide,titanium tert-butoxide,titanum tetra t-butoxide,tetra-tert-butoxytitanium iv,titanium 4+ 2-methylpropan-2-olate PubChem CID: 6451515 SMILES: [Ti+4].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-]

PubChem CID 6451515
CAS 3087-39-6
Molecular Weight (g/mol) 340.33
MDL Number MFCD00040554
SMILES [Ti+4].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-]
Synonym unii-px6yr1s99s,px6yr1s99s,titanium iv tert-butoxide,titanium tetra-tert-butoxide,titanium tert-butoxide,titanum tetra t-butoxide,tetra-tert-butoxytitanium iv,titanium 4+ 2-methylpropan-2-olate
InChI Key GRWPYGBKJYICOO-UHFFFAOYSA-N
Molecular Formula C16H36O4Ti
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

2-Nitro-1-propanol, 97%

CAS: 2902-96-7 Molecular Formula: C3H7NO3 Molecular Weight (g/mol): 105.09 MDL Number: MFCD00007398 InChI Key: PCNWBUOSTLGPMI-UHFFFAOYNA-N Synonym: 2-nitro-1-propanol,2-nitropropanol,1-propanol, 2-nitro,2-nitropropanol-1,ccris 5045,2-nitro-propan-1-ol,acmc-20anp9,1-hydroxy-2-nitropropane,1-propanol, 2-nitro-8ci PubChem CID: 92187 IUPAC Name: 2-nitropropan-1-ol SMILES: CC(CO)[N+]([O-])=O

PubChem CID 92187
CAS 2902-96-7
Molecular Weight (g/mol) 105.09
MDL Number MFCD00007398
SMILES CC(CO)[N+]([O-])=O
Synonym 2-nitro-1-propanol,2-nitropropanol,1-propanol, 2-nitro,2-nitropropanol-1,ccris 5045,2-nitro-propan-1-ol,acmc-20anp9,1-hydroxy-2-nitropropane,1-propanol, 2-nitro-8ci
IUPAC Name 2-nitropropan-1-ol
InChI Key PCNWBUOSTLGPMI-UHFFFAOYNA-N
Molecular Formula C3H7NO3
5

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
6

3-Nitro-o-phenylenediamine, 98%

CAS: 3694-52-8 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.141 MDL Number: MFCD00007722 InChI Key: IOCXBXZBNOYTLQ-UHFFFAOYSA-N Synonym: 3-nitro-1,2-phenylenediamine,3-nitro-o-phenylenediamine,1,2-diamino-3-nitrobenzene,3-nitrophenylenediamine,2-amino-6-nitroaniline,1,2-benzenediamine, 3-nitro,3-nitro-1,2-benzenediamine,o-phenylenediamine, 3-nitro,unii-wrz63l50zk,ccris 5427 PubChem CID: 4359525 IUPAC Name: 3-nitrobenzene-1,2-diamine SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)N

PubChem CID 4359525
CAS 3694-52-8
Molecular Weight (g/mol) 153.141
MDL Number MFCD00007722
SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])N)N
Synonym 3-nitro-1,2-phenylenediamine,3-nitro-o-phenylenediamine,1,2-diamino-3-nitrobenzene,3-nitrophenylenediamine,2-amino-6-nitroaniline,1,2-benzenediamine, 3-nitro,3-nitro-1,2-benzenediamine,o-phenylenediamine, 3-nitro,unii-wrz63l50zk,ccris 5427
IUPAC Name 3-nitrobenzene-1,2-diamine
InChI Key IOCXBXZBNOYTLQ-UHFFFAOYSA-N
Molecular Formula C6H7N3O2
7

Iron(III) isopropoxide, 2.5% w/v in isopropanol

CAS: 14995-22-3 Molecular Formula: C9H21FeO3 Molecular Weight (g/mol): 233.109 MDL Number: MFCD00070436 InChI Key: QUHDSMAREWXWFM-UHFFFAOYSA-N Synonym: iron 3+ ;propan-2-olate,iron iii i-propoxide,triisopropoxyiron iii,2-propanol, iron 3+ salt 9ci,iron 3+ ion tris propan-2-olate,iron 3+ tris propan-2-olate,iron iii i-propoxide 99.9+%-fe PubChem CID: 11961763 IUPAC Name: iron(3+);propan-2-olate SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].[Fe+3]

PubChem CID 11961763
CAS 14995-22-3
Molecular Weight (g/mol) 233.109
MDL Number MFCD00070436
SMILES CC(C)[O-].CC(C)[O-].CC(C)[O-].[Fe+3]
Synonym iron 3+ ;propan-2-olate,iron iii i-propoxide,triisopropoxyiron iii,2-propanol, iron 3+ salt 9ci,iron 3+ ion tris propan-2-olate,iron 3+ tris propan-2-olate,iron iii i-propoxide 99.9+%-fe
IUPAC Name iron(3+);propan-2-olate
InChI Key QUHDSMAREWXWFM-UHFFFAOYSA-N
Molecular Formula C9H21FeO3
8

5-Chloro-2-nitroaniline, 97%

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-]

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
9

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

CAS: 7138-15-0 Molecular Formula: C6H5BrN2O2 Molecular Weight (g/mol): 217.022 MDL Number: MFCD08063248 InChI Key: GLKHLBAXHLAQBJ-UHFFFAOYSA-N Synonym: 3-bromo-2-nitrobenzenamine,2-amino-6-bromonitrobenzene,3-bromo-2-nitrophenylamine,3-bromo-2-nitro-phenylamine,pubchem3139,acmc-209oig,3-bromo-2-nitro-aniline,ksc376s4f,3-amino-2-nitrobromobenzene PubChem CID: 21852072 IUPAC Name: 3-bromo-2-nitroaniline SMILES: C1=CC(=C(C(=C1)Br)[N+](=O)[O-])N

PubChem CID 21852072
CAS 7138-15-0
Molecular Weight (g/mol) 217.022
MDL Number MFCD08063248
SMILES C1=CC(=C(C(=C1)Br)[N+](=O)[O-])N
Synonym 3-bromo-2-nitrobenzenamine,2-amino-6-bromonitrobenzene,3-bromo-2-nitrophenylamine,3-bromo-2-nitro-phenylamine,pubchem3139,acmc-209oig,3-bromo-2-nitro-aniline,ksc376s4f,3-amino-2-nitrobromobenzene
IUPAC Name 3-bromo-2-nitroaniline
InChI Key GLKHLBAXHLAQBJ-UHFFFAOYSA-N
Molecular Formula C6H5BrN2O2
10

5-(4-Nitrophenyl)-1H-tetrazole, 97%

CAS: 16687-60-8 Molecular Formula: C7H5N5O2 Molecular Weight (g/mol): 191.15 MDL Number: MFCD00068729 InChI Key: MIUOBAHGBPSRKY-UHFFFAOYSA-N Synonym: 5-4-nitrophenyl-1h-tetrazole,5-4-nitrophenyl-2h-tetrazole,5-4-nitro-phenyl-2h-tetrazole,5-4-nitrophenyl tetrazole,5-4-nitrophenyl-1h-1,2,3,4-tetrazole,5-4-nitro-phenyl-1h-tetrazole,5-4-nitrophenyl-2h-1,2,3,4-tetrazole,maybridge1_004022,acmc-1bt31 PubChem CID: 285163 IUPAC Name: 5-(4-nitrophenyl)-2H-tetrazole SMILES: [O-][N+](=O)C1=CC=C(C=C1)C1=NNN=N1

PubChem CID 285163
CAS 16687-60-8
Molecular Weight (g/mol) 191.15
MDL Number MFCD00068729
SMILES [O-][N+](=O)C1=CC=C(C=C1)C1=NNN=N1
Synonym 5-4-nitrophenyl-1h-tetrazole,5-4-nitrophenyl-2h-tetrazole,5-4-nitro-phenyl-2h-tetrazole,5-4-nitrophenyl tetrazole,5-4-nitrophenyl-1h-1,2,3,4-tetrazole,5-4-nitro-phenyl-1h-tetrazole,5-4-nitrophenyl-2h-1,2,3,4-tetrazole,maybridge1_004022,acmc-1bt31
IUPAC Name 5-(4-nitrophenyl)-2H-tetrazole
InChI Key MIUOBAHGBPSRKY-UHFFFAOYSA-N
Molecular Formula C7H5N5O2
11

4-Nitro-1H-pyrazole-3-carboxylic acid, 98%, Thermo Scientific Chemicals

CAS: 5334-40-7 Molecular Formula: C4H3N3O4 Molecular Weight (g/mol): 157.085 MDL Number: MFCD00090899 InChI Key: ZMAXXOYJWZZQBK-UHFFFAOYSA-N Synonym: 4-nitro-1h-pyrazole-3-carboxylic acid,4-nitropyrazole-3-carboxylic acid,4-nitro-3-pyrazolecarboxylic acid,4-nitro-1h-pyrazole-5-carboxylic acid,1h-pyrazole-3-carboxylic acid, 4-nitro,4-nitro-2h-pyrazole-3-carboxylic acid,4-nitro pyrazole-3-carboxylic acid,4-nitro-pyrazole-3-carboxylic acid,4-hydroxynitroso-1h-pyrazole-3-carboxylic acid,nitropyrazolecarboxylic PubChem CID: 219739 SMILES: C1=NNC(=C1[N+](=O)[O-])C(=O)O

PubChem CID 219739
CAS 5334-40-7
Molecular Weight (g/mol) 157.085
MDL Number MFCD00090899
SMILES C1=NNC(=C1[N+](=O)[O-])C(=O)O
Synonym 4-nitro-1h-pyrazole-3-carboxylic acid,4-nitropyrazole-3-carboxylic acid,4-nitro-3-pyrazolecarboxylic acid,4-nitro-1h-pyrazole-5-carboxylic acid,1h-pyrazole-3-carboxylic acid, 4-nitro,4-nitro-2h-pyrazole-3-carboxylic acid,4-nitro pyrazole-3-carboxylic acid,4-nitro-pyrazole-3-carboxylic acid,4-hydroxynitroso-1h-pyrazole-3-carboxylic acid,nitropyrazolecarboxylic
InChI Key ZMAXXOYJWZZQBK-UHFFFAOYSA-N
Molecular Formula C4H3N3O4
12

Titanium(IV) ethoxide, 33-35% TiO2

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]

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
13

5-Chloro-2-nitroaniline, 97%

CAS: 1635-61-6 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.568 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-]

PubChem CID 74218
CAS 1635-61-6
Molecular Weight (g/mol) 172.568
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
14

4-Amino-3-nitrobenzonitrile, 98%

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

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
15

4-Bromo-2-nitroaniline, 98%

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

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