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) 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

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

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

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

Zirconium(IV) propoxide, ca. 70%, solution in 1-Propanol, AcroSeal™

CAS: 23519-77-9 Formula molecolare: C12H28O4Zr Molecular Weight (g/mol): 327.58 Numero MDL: MFCD00015307 InChI Key: XPGAWFIWCWKDDL-UHFFFAOYSA-N Sinonimo: zirconium iv tetrapropoxide,zirconium iv propoxide,unii-a7z4n4e80x,1-propanol, zirconium 4+ salt,zirconium propoxide,zirconium n-propoxide,1-propanol, zirconium 4+ salt 4:1,zirconium iv propoxide solution,zirconium tetrapropanolate,propyl alcohol, zirconium 4+ salt PubChem CID: 90139 SMILES: CCCO[Zr](OCCC)(OCCC)OCCC

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Sinonimo	zirconium iv tetrapropoxide,zirconium iv propoxide,unii-a7z4n4e80x,1-propanol, zirconium 4+ salt,zirconium propoxide,zirconium n-propoxide,1-propanol, zirconium 4+ salt 4:1,zirconium iv propoxide solution,zirconium tetrapropanolate,propyl alcohol, zirconium 4+ salt
Numero MDL	MFCD00015307
PubChem CID	90139
Formula molecolare	C12H28O4Zr
CAS	23519-77-9
Molecular Weight (g/mol)	327.58
SMILES	CCCO[Zr](OCCC)(OCCC)OCCC
InChI Key	XPGAWFIWCWKDDL-UHFFFAOYSA-N

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

2-Methyl-2-nitro-1,3-propanediol, 97%

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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

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

4-Amino-3-nitrobenzonitrile, 98%

CAS: 6393-40-4 Formula molecolare: C7H5N3O2 Molecular Weight (g/mol): 163.14 Numero MDL: MFCD00013373 InChI Key: JAHADAZIDZMHOP-UHFFFAOYSA-N Sinonimo: 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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Sinonimo	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
Numero MDL	MFCD00013373
PubChem CID	595901
Formula molecolare	C7H5N3O2
CAS	6393-40-4
Molecular Weight (g/mol)	163.14
SMILES	NC1=CC=C(C=C1[N+]([O-])=O)C#N
IUPAC Name	4-amino-3-nitrobenzonitrile
InChI Key	JAHADAZIDZMHOP-UHFFFAOYSA-N

4-Bromo-2-nitroaniline, 97%, Thermo Scientific™

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

CAS: 5058-42-4 Formula molecolare: C6H15FeO3 Molecular Weight (g/mol): 191.028 Numero MDL: MFCD00078028 InChI Key: JTPUGUWXHGEEHW-UHFFFAOYSA-N Sinonimo: 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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Sinonimo	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
Numero MDL	MFCD00078028
PubChem CID	6452222
Formula molecolare	C6H15FeO3
CAS	5058-42-4
Molecular Weight (g/mol)	191.028
SMILES	CC[O-].CC[O-].CC[O-].[Fe+3]
IUPAC Name	ethanolate;iron(3+)
InChI Key	JTPUGUWXHGEEHW-UHFFFAOYSA-N

Niobium(V) ethoxide, 99.99% (metals basis), Ta <500ppm

CAS: 3236-82-6 Formula molecolare: C10H25NbO5 Molecular Weight (g/mol): 318.21 Numero MDL: MFCD00015122 InChI Key: ZTILUDNICMILKJ-UHFFFAOYSA-N Sinonimo: niobium ethoxide,niobium 5+ ethanolate,ethanol, niobium 5+ salt,niobium 5+ ion pentakis ethoxide,pentaethoxyniobium,niobium pentaethoxide,ethanol, niobium 5+ salt 5:1,acmc-1cmht,niobium v pentaethoxide,ethanolate; niobium 5+ PubChem CID: 160675 IUPAC Name: ethanolate;niobium(5+) SMILES: CCO[Nb](OCC)(OCC)(OCC)OCC

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Sinonimo	niobium ethoxide,niobium 5+ ethanolate,ethanol, niobium 5+ salt,niobium 5+ ion pentakis ethoxide,pentaethoxyniobium,niobium pentaethoxide,ethanol, niobium 5+ salt 5:1,acmc-1cmht,niobium v pentaethoxide,ethanolate; niobium 5+
Numero MDL	MFCD00015122
PubChem CID	160675
Formula molecolare	C10H25NbO5
CAS	3236-82-6
Molecular Weight (g/mol)	318.21
SMILES	CCO[Nb](OCC)(OCC)(OCC)OCC
IUPAC Name	ethanolate;niobium(5+)
InChI Key	ZTILUDNICMILKJ-UHFFFAOYSA-N

4-Nitroaniline, 99%

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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-Fluoro-4-nitroaniline, 95%

CAS: 369-35-7 Formula molecolare: C6H5FN2O2 Molecular Weight (g/mol): 156.116 Numero MDL: MFCD00034560 InChI Key: LETNCFZQCNCACQ-UHFFFAOYSA-N Sinonimo: 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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Sinonimo	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
Numero MDL	MFCD00034560
PubChem CID	101254
Formula molecolare	C6H5FN2O2
CAS	369-35-7
Molecular Weight (g/mol)	156.116
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])F)N
IUPAC Name	2-fluoro-4-nitroaniline
InChI Key	LETNCFZQCNCACQ-UHFFFAOYSA-N

Organic zwitterions

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