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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-Fluoro-5-nitroaniline, 98%

CAS: 369-36-8 Molecular Formula: C6H5FN2O2 Molecular Weight (g/mol): 156.12 MDL Number: MFCD00007652 InChI Key: KJVBJICWGQIMOZ-UHFFFAOYSA-N Synonym: benzenamine, 2-fluoro-5-nitro,2-fluoro-5-nitrophenylamine,2-fluoro-5-nitro-phenylamine,1-amino-2-fluoro-5-nitrobenzene,2-fluoro-5-nitrobenzenamine,2-fluoro-5-nitro aniline,3-amino-4-fluoronitrobenzene,pubchem8504,acmc-1crtl,5-nitro-2-fluoroaniline PubChem CID: 67785 IUPAC Name: 2-fluoro-5-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])N)F

PubChem CID 67785
CAS 369-36-8
Molecular Weight (g/mol) 156.12
MDL Number MFCD00007652
SMILES C1=CC(=C(C=C1[N+](=O)[O-])N)F
Synonym benzenamine, 2-fluoro-5-nitro,2-fluoro-5-nitrophenylamine,2-fluoro-5-nitro-phenylamine,1-amino-2-fluoro-5-nitrobenzene,2-fluoro-5-nitrobenzenamine,2-fluoro-5-nitro aniline,3-amino-4-fluoronitrobenzene,pubchem8504,acmc-1crtl,5-nitro-2-fluoroaniline
IUPAC Name 2-fluoro-5-nitroaniline
InChI Key KJVBJICWGQIMOZ-UHFFFAOYSA-N
Molecular Formula C6H5FN2O2
2

4-Nitroaniline, 99%

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
3

4-Nitro-o-phenylenediamine, 98%

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
4

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

CAS: 18770-47-3 Molecular Formula: C9H21O3Sb Molecular Weight (g/mol): 299.024 MDL Number: MFCD00143623 InChI Key: HYPTXUAFIRUIRD-UHFFFAOYSA-N Synonym: antimony iii isopropoxide,antimony 3+ tripropan-2-olate,triisopropoxyantimony,acmc-209epx,antimony iii propan-2-olate,antimony 3+ ; propan-2-olate,2-propanol,antimony 3+ salt 9ci,antimony 3+ ion tris propan-2-olate,antimony 3+ tris propan-2-olate PubChem CID: 3034303 IUPAC Name: antimony(3+);propan-2-olate SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].[Sb+3]

PubChem CID 3034303
CAS 18770-47-3
Molecular Weight (g/mol) 299.024
MDL Number MFCD00143623
SMILES CC(C)[O-].CC(C)[O-].CC(C)[O-].[Sb+3]
Synonym antimony iii isopropoxide,antimony 3+ tripropan-2-olate,triisopropoxyantimony,acmc-209epx,antimony iii propan-2-olate,antimony 3+ ; propan-2-olate,2-propanol,antimony 3+ salt 9ci,antimony 3+ ion tris propan-2-olate,antimony 3+ tris propan-2-olate
IUPAC Name antimony(3+);propan-2-olate
InChI Key HYPTXUAFIRUIRD-UHFFFAOYSA-N
Molecular Formula C9H21O3Sb
5

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
6

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
7

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
8

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
9

Tantalum(V) ethoxide, 99.999% (metals basis), Nb <100ppm

CAS: 6074-84-6 Molecular Formula: C10H25O5Ta Molecular Weight (g/mol): 406.25 MDL Number: MFCD00049785 InChI Key: HSXKFDGTKKAEHL-UHFFFAOYSA-N Synonym: tantalum v ethoxide,tantalum 5+ ethanolate,tantalum ethoxide,tantalum 5+ pentaethanolate,ethanol, tantalum 5+ salt,pentaethoxytantalum v,ethanol, tantalum 5+ salt 5:1,tantalum ethylate,pentaethyl tantalate,tantalum pentaethoxide PubChem CID: 160806 IUPAC Name: ethanolate;tantalum(5+) SMILES: CCO[Ta](OCC)(OCC)(OCC)OCC

PubChem CID 160806
CAS 6074-84-6
Molecular Weight (g/mol) 406.25
MDL Number MFCD00049785
SMILES CCO[Ta](OCC)(OCC)(OCC)OCC
Synonym tantalum v ethoxide,tantalum 5+ ethanolate,tantalum ethoxide,tantalum 5+ pentaethanolate,ethanol, tantalum 5+ salt,pentaethoxytantalum v,ethanol, tantalum 5+ salt 5:1,tantalum ethylate,pentaethyl tantalate,tantalum pentaethoxide
IUPAC Name ethanolate;tantalum(5+)
InChI Key HSXKFDGTKKAEHL-UHFFFAOYSA-N
Molecular Formula C10H25O5Ta
10

Iron(III) isopropoxide, 98%

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
11

2-Nitroaniline, 98%

CAS: 88-74-4 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.126 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-]

PubChem CID 6946
CAS 88-74-4
Molecular Weight (g/mol) 138.126
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
12

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
13

2,6-Dichloro-4-nitroaniline, 95%

CAS: 99-30-9 Molecular Formula: C6H4Cl2N2O2 Molecular Weight (g/mol): 207.01 MDL Number: MFCD00007677 InChI Key: BIXZHMJUSMUDOQ-UHFFFAOYSA-N Synonym: dichloran,dicloran,allisan,botran,dcna,ditranil,batran,bortran,resisan,dcna fungicide PubChem CID: 7430 ChEBI: CHEBI:27864 IUPAC Name: 2,6-dichloro-4-nitroaniline SMILES: C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]

PubChem CID 7430
CAS 99-30-9
Molecular Weight (g/mol) 207.01
ChEBI CHEBI:27864
MDL Number MFCD00007677
SMILES C1=C(C=C(C(=C1Cl)N)Cl)[N+](=O)[O-]
Synonym dichloran,dicloran,allisan,botran,dcna,ditranil,batran,bortran,resisan,dcna fungicide
IUPAC Name 2,6-dichloro-4-nitroaniline
InChI Key BIXZHMJUSMUDOQ-UHFFFAOYSA-N
Molecular Formula C6H4Cl2N2O2
14

3-Nitro-o-phenylenediamine, 98%

CAS: 3694-52-8 Molecular Formula: C6H7N3O2 Molecular Weight (g/mol): 153.14 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) 153.14
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
15

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