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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Titanium(IV) ethoxide

CAS: 3087-36-3 Formula molecolare: C₈H₂₀O₄Ti Molecular Weight (g/mol): 228.15 Numero MDL: MFCD00009071 InChI Key: JMXKSZRRTHPKDL-UHFFFAOYSA-N Sinonimo: 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]

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Sinonimo	titanium iv ethoxide,ethyl titanate,titanium tetraethoxide,titanium ethoxide,tetraethyl titanate,titanium iv ethanolate,titanium 4+ tetraethanolate,titanium 4+ ethanolate
Numero MDL	MFCD00009071
PubChem CID	76524
Formula molecolare	C₈H₂₀O₄Ti
CAS	3087-36-3
Molecular Weight (g/mol)	228.15
SMILES	CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4]
IUPAC Name	ethanolate;titanium(4+)
InChI Key	JMXKSZRRTHPKDL-UHFFFAOYSA-N

2-Nitroimidazole, 98%

CAS: 527-73-1 Formula molecolare: C3H3N3O2 Molecular Weight (g/mol): 113.08 Numero MDL: MFCD00005185 InChI Key: YZEUHQHUFTYLPH-UHFFFAOYSA-N Sinonimo: 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

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

Titanium(IV) isopropoxide, 98+%

CAS: 546-68-9 Formula molecolare: C₁₂H₂₈O₄Ti Molecular Weight (g/mol): 284.26 InChI Key: VXUYXOFXAQZZMF-UHFFFAOYSA-N Sinonimo: 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]

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Sinonimo	titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate
PubChem CID	11026
Formula molecolare	C₁₂H₂₈O₄Ti
CAS	546-68-9
Molecular Weight (g/mol)	284.26
SMILES	CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
IUPAC Name	propan-2-olate;titanium(4+)
InChI Key	VXUYXOFXAQZZMF-UHFFFAOYSA-N

4-Nitroaniline, 98%

CAS: 100-01-6 Formula molecolare: C6H6N2O2 Molecular Weight (g/mol): 138.13 Numero MDL: MFCD00007858 InChI Key: TYMLOMAKGOJONV-UHFFFAOYSA-N Sinonimo: 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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Sinonimo	p-nitroaniline,p-nitraniline,4-nitrobenzenamine,p-aminonitrobenzene,4-nitraniline,benzenamine, 4-nitro,p-nitrophenylamine,1-amino-4-nitrobenzene,aniline, p-nitro,developer p
Numero MDL	MFCD00007858
PubChem CID	7475
Formula molecolare	C6H6N2O2
CAS	100-01-6
Molecular Weight (g/mol)	138.13
ChEBI	CHEBI:17064
SMILES	NC1=CC=C(C=C1)[N+]([O-])=O
IUPAC Name	4-nitroaniline
InChI Key	TYMLOMAKGOJONV-UHFFFAOYSA-N

2-Nitro-p-phenylenediamine, 95%

CAS: 5307-14-2 Formula molecolare: C6H7N3O2 Molecular Weight (g/mol): 153.141 Numero MDL: MFCD00007903 InChI Key: HVHNMNGARPCGGD-UHFFFAOYSA-N Sinonimo: 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

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Sinonimo	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
Numero MDL	MFCD00007903
PubChem CID	4338370
Formula molecolare	C6H7N3O2
CAS	5307-14-2
Molecular Weight (g/mol)	153.141
ChEBI	CHEBI:76394
SMILES	C1=CC(=C(C=C1N)[N+](=O)[O-])N
IUPAC Name	2-nitrobenzene-1,4-diamine
InChI Key	HVHNMNGARPCGGD-UHFFFAOYSA-N

Titanium(IV) isopropoxide, 95%

CAS: 546-68-9 Formula molecolare: C12H28O4Ti Molecular Weight (g/mol): 284.219 Numero MDL: MFCD00008871 InChI Key: VXUYXOFXAQZZMF-UHFFFAOYSA-N Sinonimo: 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]

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Sinonimo	titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate
Numero MDL	MFCD00008871
PubChem CID	11026
Formula molecolare	C12H28O4Ti
CAS	546-68-9
Molecular Weight (g/mol)	284.219
SMILES	CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
IUPAC Name	propan-2-olate;titanium(4+)
InChI Key	VXUYXOFXAQZZMF-UHFFFAOYSA-N

2-Nitro-2-methyl-1,3-propanediol, 99%, Thermo Scientific Chemicals

CAS: 77-49-6 Formula molecolare: C4H9NO4 Molecular Weight (g/mol): 135.12 Numero MDL: MFCD00024812 InChI Key: LOTYADDQWWVBDJ-UHFFFAOYSA-N Sinonimo: 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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Sinonimo	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
Numero MDL	MFCD00024812
PubChem CID	6480
Formula molecolare	C4H9NO4
CAS	77-49-6
Molecular Weight (g/mol)	135.12
SMILES	CC(CO)(CO)[N+]([O-])=O
IUPAC Name	2-methyl-2-nitropropane-1,3-diol
InChI Key	LOTYADDQWWVBDJ-UHFFFAOYSA-N

Sinonimo	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
Numero MDL	MFCD00024812
PubChem CID	6480
Formula molecolare	C4H9NO4
CAS	77-49-6
Molecular Weight (g/mol)	135.12
SMILES	CC(CO)(CO)[N+]([O-])=O
IUPAC Name	2-methyl-2-nitropropane-1,3-diol
InChI Key	LOTYADDQWWVBDJ-UHFFFAOYSA-N

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

CAS: 18770-47-3 Formula molecolare: C9H21O3Sb Molecular Weight (g/mol): 299.024 Numero MDL: MFCD00143623 InChI Key: HYPTXUAFIRUIRD-UHFFFAOYSA-N Sinonimo: 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]

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Sinonimo	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
Numero MDL	MFCD00143623
PubChem CID	3034303
Formula molecolare	C9H21O3Sb
CAS	18770-47-3
Molecular Weight (g/mol)	299.024
SMILES	CC(C)[O-].CC(C)[O-].CC(C)[O-].[Sb+3]
IUPAC Name	antimony(3+);propan-2-olate
InChI Key	HYPTXUAFIRUIRD-UHFFFAOYSA-N

Iron(II) methoxide, 98%

CAS: 7245-21-8 Formula molecolare: C2H6FeO2 Molecular Weight (g/mol): 117.913 Numero MDL: MFCD00061474 InChI Key: VAPRHKOWFRYFTF-UHFFFAOYSA-N Sinonimo: 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]

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

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

CAS: 7138-15-0 Formula molecolare: C6H5BrN2O2 Molecular Weight (g/mol): 217.022 Numero MDL: MFCD08063248 InChI Key: GLKHLBAXHLAQBJ-UHFFFAOYSA-N Sinonimo: 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

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Sinonimo	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
Numero MDL	MFCD08063248
PubChem CID	21852072
Formula molecolare	C6H5BrN2O2
CAS	7138-15-0
Molecular Weight (g/mol)	217.022
SMILES	C1=CC(=C(C(=C1)Br)[N+](=O)[O-])N
IUPAC Name	3-bromo-2-nitroaniline
InChI Key	GLKHLBAXHLAQBJ-UHFFFAOYSA-N

2-Nitro-1-propanol, 97%

CAS: 2902-96-7 Formula molecolare: C3H7NO3 Molecular Weight (g/mol): 105.09 Numero MDL: MFCD00007398 InChI Key: PCNWBUOSTLGPMI-UHFFFAOYNA-N Sinonimo: 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

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Sinonimo	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
Numero MDL	MFCD00007398
PubChem CID	92187
Formula molecolare	C3H7NO3
CAS	2902-96-7
Molecular Weight (g/mol)	105.09
SMILES	CC(CO)[N+]([O-])=O
IUPAC Name	2-nitropropan-1-ol
InChI Key	PCNWBUOSTLGPMI-UHFFFAOYNA-N

2-Nitroaniline, 98%

CAS: 88-74-4 Formula molecolare: C₆H₆N₂O₂ Molecular Weight (g/mol): 138.13 Numero MDL: MFCD00007687 InChI Key: DPJCXCZTLWNFOH-UHFFFAOYSA-N Sinonimo: 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-]

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Sinonimo	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
Numero MDL	MFCD00007687
PubChem CID	6946
Formula molecolare	C₆H₆N₂O₂
CAS	88-74-4
Molecular Weight (g/mol)	138.13
SMILES	C1=CC=C(C(=C1)N)[N+](=O)[O-]
IUPAC Name	2-nitroaniline
InChI Key	DPJCXCZTLWNFOH-UHFFFAOYSA-N

4-Nitro-o-phenylenediamine, 98%

CAS: 99-56-9 Formula molecolare: C6H7N3O2 Molecular Weight (g/mol): 153.14 Numero MDL: MFCD00007724 InChI Key: RAUWPNXIALNKQM-UHFFFAOYSA-N Sinonimo: 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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Sinonimo	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
Numero MDL	MFCD00007724
PubChem CID	5111791
Formula molecolare	C6H7N3O2
CAS	99-56-9
Molecular Weight (g/mol)	153.14
ChEBI	CHEBI:67116
SMILES	NC1=CC=C(C=C1N)[N+]([O-])=O
IUPAC Name	4-nitrobenzene-1,2-diamine
InChI Key	RAUWPNXIALNKQM-UHFFFAOYSA-N

4-Fluoro-5-nitrobenzene-1,2-diamine, Technical Grade, Thermo Scientific™

CAS: 113269-06-0 Formula molecolare: C6H6FN3O2 Molecular Weight (g/mol): 171.131 InChI Key: QZNALIMEKAACKP-UHFFFAOYSA-N PubChem CID: 3782733 IUPAC Name: 4-fluoro-5-nitrobenzene-1,2-diamine SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])F)N)N

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PubChem CID	3782733
Formula molecolare	C6H6FN3O2
CAS	113269-06-0
Molecular Weight (g/mol)	171.131
SMILES	C1=C(C(=CC(=C1[N+](=O)[O-])F)N)N
IUPAC Name	4-fluoro-5-nitrobenzene-1,2-diamine
InChI Key	QZNALIMEKAACKP-UHFFFAOYSA-N

Organic zwitterions

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