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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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]

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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

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

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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

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]

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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-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

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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

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

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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

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

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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

5-Fluoro-2-nitroaniline, 97%

CAS: 2369-11-1 Molecular Formula: C6H5FN2O2 Molecular Weight (g/mol): 156.12 MDL Number: MFCD00034065 InChI Key: PEDMFCHWOVJDNW-UHFFFAOYSA-N IUPAC Name: 5-fluoro-2-nitroaniline

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CAS	2369-11-1
Molecular Weight (g/mol)	156.12
MDL Number	MFCD00034065
IUPAC Name	5-fluoro-2-nitroaniline
InChI Key	PEDMFCHWOVJDNW-UHFFFAOYSA-N
Molecular Formula	C6H5FN2O2

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-]

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Specifications

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

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

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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

Iron(III) ethoxide, 99.6% (metals basis)

CAS: 5058-42-4 Molecular Formula: C6H15FeO3 Molecular Weight (g/mol): 191.028 MDL Number: MFCD00078028 InChI Key: JTPUGUWXHGEEHW-UHFFFAOYSA-N Synonym: iron iii ethoxide,iron 3+ ethanolate,triethoxyiron iii,ethanolate; iron 3+,acmc-1alnr,iron 3+ tris ethoxide,iron 3+ ion tris ethoxide,iron iii ethoxide trace metals basis 500mg PubChem CID: 6452222 IUPAC Name: ethanolate;iron(3+) SMILES: CC[O-].CC[O-].CC[O-].[Fe+3]

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PubChem CID	6452222
CAS	5058-42-4
Molecular Weight (g/mol)	191.028
MDL Number	MFCD00078028
SMILES	CC[O-].CC[O-].CC[O-].[Fe+3]
Synonym	iron iii ethoxide,iron 3+ ethanolate,triethoxyiron iii,ethanolate; iron 3+,acmc-1alnr,iron 3+ tris ethoxide,iron 3+ ion tris ethoxide,iron iii ethoxide trace metals basis 500mg
IUPAC Name	ethanolate;iron(3+)
InChI Key	JTPUGUWXHGEEHW-UHFFFAOYSA-N
Molecular Formula	C6H15FeO3

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

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Specifications

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

2-Fluoro-4-nitroaniline, 98%, Thermo Scientific™

CAS: 369-35-7 Molecular Formula: C₆H₅FN₂O₂ Molecular Weight (g/mol): 156.11 InChI Key: LETNCFZQCNCACQ-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzenamine,2-fluoro-4-nitro-phenylamine,benzenamine, 2-fluoro-4-nitro,2-fluoro-4-nitrophenylamine,4-amino-3-fluoronitrobenzene,2-fluoro-4-nitroaniline,pubchem8503,acmc-1bncp,2-fluoro-4-niroaniline,2-fluoro-4-nitro-aniline PubChem CID: 101254 IUPAC Name: 2-fluoro-4-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)N

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Specifications

PubChem CID	101254
CAS	369-35-7
Molecular Weight (g/mol)	156.11
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])F)N
Synonym	2-fluoro-4-nitrobenzenamine,2-fluoro-4-nitro-phenylamine,benzenamine, 2-fluoro-4-nitro,2-fluoro-4-nitrophenylamine,4-amino-3-fluoronitrobenzene,2-fluoro-4-nitroaniline,pubchem8503,acmc-1bncp,2-fluoro-4-niroaniline,2-fluoro-4-nitro-aniline
IUPAC Name	2-fluoro-4-nitroaniline
InChI Key	LETNCFZQCNCACQ-UHFFFAOYSA-N
Molecular Formula	C₆H₅FN₂O₂

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

2-Fluoro-4-nitroaniline, 95%

CAS: 369-35-7 Molecular Formula: C6H5FN2O2 Molecular Weight (g/mol): 156.116 MDL Number: MFCD00034560 InChI Key: LETNCFZQCNCACQ-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzenamine,2-fluoro-4-nitro-phenylamine,benzenamine, 2-fluoro-4-nitro,2-fluoro-4-nitrophenylamine,4-amino-3-fluoronitrobenzene,2-fluoro-4-nitroaniline,pubchem8503,acmc-1bncp,2-fluoro-4-niroaniline,2-fluoro-4-nitro-aniline PubChem CID: 101254 IUPAC Name: 2-fluoro-4-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)N

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Specifications

PubChem CID	101254
CAS	369-35-7
Molecular Weight (g/mol)	156.116
MDL Number	MFCD00034560
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])F)N
Synonym	2-fluoro-4-nitrobenzenamine,2-fluoro-4-nitro-phenylamine,benzenamine, 2-fluoro-4-nitro,2-fluoro-4-nitrophenylamine,4-amino-3-fluoronitrobenzene,2-fluoro-4-nitroaniline,pubchem8503,acmc-1bncp,2-fluoro-4-niroaniline,2-fluoro-4-nitro-aniline
IUPAC Name	2-fluoro-4-nitroaniline
InChI Key	LETNCFZQCNCACQ-UHFFFAOYSA-N
Molecular Formula	C6H5FN2O2

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

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Specifications

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

Organic zwitterions

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