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

2-Nitroethanol, tech. 80%

CAS: 625-48-9 Formula molecolare: C2H5NO3 Molecular Weight (g/mol): 91.066 Numero MDL: MFCD00007405 InChI Key: KIPMDPDAFINLIV-UHFFFAOYSA-N Sinonimo: 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-]

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Sinonimo	ethanol, 2-nitro,2-nitroethan-1-ol,beta-nitroalcohol,beta-nitroethanol,2-nitro-ethanol,.beta.-nitroethanol,ccris 6076,2 nitroethanol,pubchem14208,2-nitroethanol
Numero MDL	MFCD00007405
PubChem CID	12252
Formula molecolare	C2H5NO3
CAS	625-48-9
Molecular Weight (g/mol)	91.066
SMILES	C(CO)[N+](=O)[O-]
IUPAC Name	2-nitroethanol
InChI Key	KIPMDPDAFINLIV-UHFFFAOYSA-N

Tantalum(V) methoxide

CAS: 865-35-0 Formula molecolare: C5H15O5Ta Molecular Weight (g/mol): 336.118 Numero MDL: 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]

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Numero MDL	MFCD00058817
PubChem CID	12787641
Formula molecolare	C5H15O5Ta
CAS	865-35-0
Molecular Weight (g/mol)	336.118
SMILES	C[O-].C[O-].C[O-].C[O-].C[O-].[Ta+5]
IUPAC Name	methanolate;tantalum(5+)
InChI Key	QASMZJKUEABJNR-UHFFFAOYSA-N

4-Bromo-2-nitroaniline, 98%

CAS: 875-51-4 Formula molecolare: C6H5BrN2O2 Molecular Weight (g/mol): 217.02 Numero MDL: MFCD00041312 InChI Key: ZCWBZRBJSPWUPG-UHFFFAOYSA-N Sinonimo: benzenamine, 4-bromo-2-nitro,2-nitro-4-bromoaniline,4-bromo-o-nitroaniline,p-bromo-o-nitroaniline,4-bromo-2-nitro-phenylamine,4-bromo-2-nitrobenzeneamine,aniline, 4-bromo-2-nitro,4-bromo-2-nitrobenzenamine,1-amino-4-bromo-2-nitrobenzene,4-bromo-2-nitro-aniline PubChem CID: 70132 IUPAC Name: 4-bromo-2-nitroaniline SMILES: NC1=CC=C(Br)C=C1[N+]([O-])=O

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Sinonimo	benzenamine, 4-bromo-2-nitro,2-nitro-4-bromoaniline,4-bromo-o-nitroaniline,p-bromo-o-nitroaniline,4-bromo-2-nitro-phenylamine,4-bromo-2-nitrobenzeneamine,aniline, 4-bromo-2-nitro,4-bromo-2-nitrobenzenamine,1-amino-4-bromo-2-nitrobenzene,4-bromo-2-nitro-aniline
Numero MDL	MFCD00041312
PubChem CID	70132
Formula molecolare	C6H5BrN2O2
CAS	875-51-4
Molecular Weight (g/mol)	217.02
SMILES	NC1=CC=C(Br)C=C1[N+]([O-])=O
IUPAC Name	4-bromo-2-nitroaniline
InChI Key	ZCWBZRBJSPWUPG-UHFFFAOYSA-N

2-Chloro-4-nitroaniline, 98+%

CAS: 121-87-9 Formula molecolare: C6H5ClN2O2 Molecular Weight (g/mol): 172.568 Numero MDL: MFCD00007665 InChI Key: LOCWBQIWHWIRGN-UHFFFAOYSA-N Sinonimo: 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

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Sinonimo	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
Numero MDL	MFCD00007665
PubChem CID	8492
Formula molecolare	C6H5ClN2O2
CAS	121-87-9
Molecular Weight (g/mol)	172.568
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])Cl)N
IUPAC Name	2-chloro-4-nitroaniline
InChI Key	LOCWBQIWHWIRGN-UHFFFAOYSA-N

2-Amino-5-nitrobenzonitrile, 95%

CAS: 17420-30-3 Formula molecolare: C7H5N3O2 Molecular Weight (g/mol): 163.136 Numero MDL: MFCD00007362 InChI Key: MGCGMYPNXAFGFA-UHFFFAOYSA-N Sinonimo: 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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Sinonimo	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
Numero MDL	MFCD00007362
PubChem CID	28532
Formula molecolare	C7H5N3O2
CAS	17420-30-3
Molecular Weight (g/mol)	163.136
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C#N)N
IUPAC Name	2-amino-5-nitrobenzonitrile
InChI Key	MGCGMYPNXAFGFA-UHFFFAOYSA-N

4-chloro-5-nitro-o-phenylenediamine, 98%

CAS: 67073-39-6 Formula molecolare: C6H6ClN3O2 Molecular Weight (g/mol): 187.58 Numero MDL: MFCD03427594 InChI Key: LOQLMWFVXRZASN-UHFFFAOYSA-N Sinonimo: 4-chloro-5-nitro-o-phenylenediamine,4-chloro-5-nitro-1,2-benzenediamine,5-chloro-4-nitrobenzene-1,2-diamine,4-chloro-5-nitro-1,2-phenylenediamine,4-chloro-5-nitro-benzene-1,2-diamine,1,2-benzenediamine, 4-chloro-5-nitro PubChem CID: 5702618 IUPAC Name: 4-chloro-5-nitrobenzene-1,2-diamine SMILES: NC1=CC(Cl)=C(C=C1N)[N+]([O-])=O

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Sinonimo	4-chloro-5-nitro-o-phenylenediamine,4-chloro-5-nitro-1,2-benzenediamine,5-chloro-4-nitrobenzene-1,2-diamine,4-chloro-5-nitro-1,2-phenylenediamine,4-chloro-5-nitro-benzene-1,2-diamine,1,2-benzenediamine, 4-chloro-5-nitro
Numero MDL	MFCD03427594
PubChem CID	5702618
Formula molecolare	C6H6ClN3O2
CAS	67073-39-6
Molecular Weight (g/mol)	187.58
SMILES	NC1=CC(Cl)=C(C=C1N)[N+]([O-])=O
IUPAC Name	4-chloro-5-nitrobenzene-1,2-diamine
InChI Key	LOQLMWFVXRZASN-UHFFFAOYSA-N

Organic zwitterions

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