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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

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
2

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
3

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
4

Tantalum(V) methoxide

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]

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
5

4-Nitro-o-phenylenediamine, 97%

CAS: 99-56-9 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007724 InChI Key: RAUWPNXIALNKQM-UHFFFAOYSA-N Synonym: 4-nitro-o-phenylenediamine,1,2-diamino-4-nitrobenzene,4-nitro-1,2-phenylenediamine,2-amino-4-nitroaniline,3,4-diaminonitrobenzene,p-nitro-o-phenylenediamine,1,2-benzenediamine, 4-nitro,4-nitro-1,2-diaminobenzene,4-nitrophenylenediamine,4-nitro-1,2-benzenediamine PubChem CID: 5111791 ChEBI: CHEBI:67116 IUPAC Name: 4-nitrobenzene-1,2-diamine SMILES: NC1=CC=C(C=C1N)[N+]([O-])=O

PubChem CID 5111791
CAS 99-56-9
Molecular Weight (g/mol) 153.14
ChEBI CHEBI:67116
MDL Number MFCD00007724
SMILES NC1=CC=C(C=C1N)[N+]([O-])=O
Synonym 4-nitro-o-phenylenediamine,1,2-diamino-4-nitrobenzene,4-nitro-1,2-phenylenediamine,2-amino-4-nitroaniline,3,4-diaminonitrobenzene,p-nitro-o-phenylenediamine,1,2-benzenediamine, 4-nitro,4-nitro-1,2-diaminobenzene,4-nitrophenylenediamine,4-nitro-1,2-benzenediamine
IUPAC Name 4-nitrobenzene-1,2-diamine
InChI Key RAUWPNXIALNKQM-UHFFFAOYSA-N
Molecular Formula C6H7N3O2
6

Titanium(IV) isopropoxide, 99.995% (metals basis)

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
7

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
8

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
9

Iron(II) methoxide, 98%

CAS: 7245-21-8 Molecular Formula: C2H6FeO2 Molecular Weight (g/mol): 117.913 MDL Number: MFCD00061474 InChI Key: VAPRHKOWFRYFTF-UHFFFAOYSA-N Synonym: iron ii methoxide,iron 2+ dimethoxide,methanol, iron 2+ salt,acmc-1bc40 PubChem CID: 14598007 IUPAC Name: iron(2+);methanolate SMILES: C[O-].C[O-].[Fe+2]

PubChem CID 14598007
CAS 7245-21-8
Molecular Weight (g/mol) 117.913
MDL Number MFCD00061474
SMILES C[O-].C[O-].[Fe+2]
Synonym iron ii methoxide,iron 2+ dimethoxide,methanol, iron 2+ salt,acmc-1bc40
IUPAC Name iron(2+);methanolate
InChI Key VAPRHKOWFRYFTF-UHFFFAOYSA-N
Molecular Formula C2H6FeO2
10

2-Chloro-4-nitroaniline, 98+%

CAS: 121-87-9 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.568 MDL Number: MFCD00007665 InChI Key: LOCWBQIWHWIRGN-UHFFFAOYSA-N Synonym: ocpna,2-chloro-4-nitrobenzenamine,o-chloro-p-nitroaniline,4-nitro-2-chloroaniline,benzenamine, 2-chloro-4-nitro,1-amino-2-chloro-4-nitrobenzene,aniline, 2-chloro-4-nitro,unii-xsa3zx337b,2-chloro-4-nitro-phenylamine,ortho-chloro-para-nitroaniline PubChem CID: 8492 IUPAC Name: 2-chloro-4-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)N

PubChem CID 8492
CAS 121-87-9
Molecular Weight (g/mol) 172.568
MDL Number MFCD00007665
SMILES C1=CC(=C(C=C1[N+](=O)[O-])Cl)N
Synonym ocpna,2-chloro-4-nitrobenzenamine,o-chloro-p-nitroaniline,4-nitro-2-chloroaniline,benzenamine, 2-chloro-4-nitro,1-amino-2-chloro-4-nitrobenzene,aniline, 2-chloro-4-nitro,unii-xsa3zx337b,2-chloro-4-nitro-phenylamine,ortho-chloro-para-nitroaniline
IUPAC Name 2-chloro-4-nitroaniline
InChI Key LOCWBQIWHWIRGN-UHFFFAOYSA-N
Molecular Formula C6H5ClN2O2
11

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

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
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

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
14

4-Nitrophenethyl alcohol, 99%

CAS: 100-27-6 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.16 InChI Key: IKMXRUOZUUKSON-UHFFFAOYSA-N Synonym: 4-nitrophenethyl alcohol,2-4-nitrophenyl ethanol,4-nitrobenzeneethanol,2-p-nitrophenyl ethanol,benzeneethanol, 4-nitro,p-nitrophenethyl alcohol,2-4-nitrophenyl ethan-1-ol,phenethyl alcohol, p-nitro,ccris 6079,4-nitrophenethylalcohol PubChem CID: 7494 IUPAC Name: 2-(4-nitrophenyl)ethanol SMILES: C1=CC(=CC=C1CCO)[N+](=O)[O-]

PubChem CID 7494
CAS 100-27-6
Molecular Weight (g/mol) 167.16
SMILES C1=CC(=CC=C1CCO)[N+](=O)[O-]
Synonym 4-nitrophenethyl alcohol,2-4-nitrophenyl ethanol,4-nitrobenzeneethanol,2-p-nitrophenyl ethanol,benzeneethanol, 4-nitro,p-nitrophenethyl alcohol,2-4-nitrophenyl ethan-1-ol,phenethyl alcohol, p-nitro,ccris 6079,4-nitrophenethylalcohol
IUPAC Name 2-(4-nitrophenyl)ethanol
InChI Key IKMXRUOZUUKSON-UHFFFAOYSA-N
Molecular Formula C8H9NO3
15

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

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

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