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 96 results

Titanium(IV) isopropoxide, 98+%

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

2-Nitroaniline, 98%

CAS: 88-74-4 Molecular Formula: C₆H₆N₂O₂ Molecular Weight (g/mol): 138.13 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-]

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PubChem CID	6946
CAS	88-74-4
Molecular Weight (g/mol)	138.13
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

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

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

CAS: 23519-77-9 Molecular Formula: C12H28O4Zr Molecular Weight (g/mol): 327.58 MDL Number: MFCD00015307 InChI Key: XPGAWFIWCWKDDL-UHFFFAOYSA-N Synonym: 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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PubChem CID	90139
CAS	23519-77-9
Molecular Weight (g/mol)	327.58
MDL Number	MFCD00015307
SMILES	CCCO[Zr](OCCC)(OCCC)OCCC
Synonym	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
InChI Key	XPGAWFIWCWKDDL-UHFFFAOYSA-N
Molecular Formula	C12H28O4Zr

Titanium(IV) ethoxide

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

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-]

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Specifications

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

Titanium(IV) isopropoxide, 95%

CAS: 546-68-9 Molecular Formula: C12H28O4Ti Molecular Weight (g/mol): 284.219 MDL Number: MFCD00008871 InChI Key: VXUYXOFXAQZZMF-UHFFFAOYSA-N Synonym: 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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Specifications

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

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

CAS: 10433-06-4 Molecular Formula: C6H15O3Sb Molecular Weight (g/mol): 256.943 MDL Number: MFCD00015123 InChI Key: JGOJQVLHSPGMOC-UHFFFAOYSA-N Synonym: antimony triethoxide,triethoxyantimony,acmc-20alrx,sb oet 3,antimony iii ethoxide,antimony 3+ ; ethanolate,ethanol, antimony 3+ salt 9ci,antimony 3+ tris ethoxide,antimony 3+ ion tris ethoxide PubChem CID: 66326 IUPAC Name: antimony(3+);ethanolate SMILES: CC[O-].CC[O-].CC[O-].[Sb+3]

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Specifications

PubChem CID	66326
CAS	10433-06-4
Molecular Weight (g/mol)	256.943
MDL Number	MFCD00015123
SMILES	CC[O-].CC[O-].CC[O-].[Sb+3]
Synonym	antimony triethoxide,triethoxyantimony,acmc-20alrx,sb oet 3,antimony iii ethoxide,antimony 3+ ; ethanolate,ethanol, antimony 3+ salt 9ci,antimony 3+ tris ethoxide,antimony 3+ ion tris ethoxide
IUPAC Name	antimony(3+);ethanolate
InChI Key	JGOJQVLHSPGMOC-UHFFFAOYSA-N
Molecular Formula	C6H15O3Sb

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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Specifications

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

3-(4-Nitrophenyl)-1H-pyrazole, 97%, Thermo Scientific Chemicals

CAS: 20583-31-7 Molecular Formula: C9H7N3O2 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00665859 InChI Key: IPIYADCDDIUVPS-UHFFFAOYSA-N Synonym: 3-4-nitrophenyl-1h-pyrazole,3-4-nitrophenyl pyrazole,5-4-nitrophenyl-1h-pyrazole,3-4-nitro-phenyl-1h-pyrazole,5-4-nitrophenyl pyrazole,1h-pyrazole, 3-4-nitrophenyl,5-4-nitro-phenyl-1h-pyrazole,3-4-nitrophenyl-2h-pyrazole,nitrophenylpyrazole,p-nitrophenylpyrazole PubChem CID: 2737071 IUPAC Name: 5-(4-nitrophenyl)-1H-pyrazole SMILES: [O-][N+](=O)C1=CC=C(C=C1)C1=CC=NN1

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Specifications

PubChem CID	2737071
CAS	20583-31-7
Molecular Weight (g/mol)	189.17
MDL Number	MFCD00665859
SMILES	[O-][N+](=O)C1=CC=C(C=C1)C1=CC=NN1
Synonym	3-4-nitrophenyl-1h-pyrazole,3-4-nitrophenyl pyrazole,5-4-nitrophenyl-1h-pyrazole,3-4-nitro-phenyl-1h-pyrazole,5-4-nitrophenyl pyrazole,1h-pyrazole, 3-4-nitrophenyl,5-4-nitro-phenyl-1h-pyrazole,3-4-nitrophenyl-2h-pyrazole,nitrophenylpyrazole,p-nitrophenylpyrazole
IUPAC Name	5-(4-nitrophenyl)-1H-pyrazole
InChI Key	IPIYADCDDIUVPS-UHFFFAOYSA-N
Molecular Formula	C9H7N3O2

Tris(hydroxymethyl)nitromethane, 95%

CAS: 126-11-4 Molecular Formula: C4H9NO5 Molecular Weight (g/mol): 151.12 MDL Number: MFCD00007395 InChI Key: OLQJQHSAWMFDJE-UHFFFAOYSA-N Synonym: tris hydroxymethyl nitromethane,2-hydroxymethyl-2-nitropropane-1,3-diol,2-hydroxymethyl-2-nitro-1,3-propanediol,cimcool wafers,tris nitro,trimethylolnitromethane,isobutylglycerol, nitro,nitroisobutylglycerol,1,3-propanediol, 2-hydroxymethyl-2-nitro,methane, trimethylolnitro PubChem CID: 31337 IUPAC Name: 2-(hydroxymethyl)-2-nitropropane-1,3-diol SMILES: OCC(CO)(CO)[N+]([O-])=O

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Specifications

PubChem CID	31337
CAS	126-11-4
Molecular Weight (g/mol)	151.12
MDL Number	MFCD00007395
SMILES	OCC(CO)(CO)[N+]([O-])=O
Synonym	tris hydroxymethyl nitromethane,2-hydroxymethyl-2-nitropropane-1,3-diol,2-hydroxymethyl-2-nitro-1,3-propanediol,cimcool wafers,tris nitro,trimethylolnitromethane,isobutylglycerol, nitro,nitroisobutylglycerol,1,3-propanediol, 2-hydroxymethyl-2-nitro,methane, trimethylolnitro
IUPAC Name	2-(hydroxymethyl)-2-nitropropane-1,3-diol
InChI Key	OLQJQHSAWMFDJE-UHFFFAOYSA-N
Molecular Formula	C4H9NO5

5-Chloro-4-fluoro-2-nitroaniline, 97%

CAS: 104222-34-6 Molecular Formula: C6H4ClFN2O2 Molecular Weight (g/mol): 190.558 MDL Number: MFCD00052698 InChI Key: VRJKEIWZSOHDOH-UHFFFAOYSA-N Synonym: 2-nitro-4-fluoro-5-chloroaniline,benzenamine, 5-chloro-4-fluoro-2-nitro,benzenamine,5-chloro-4-fluoro-2-nitro,5-chloro-4-fluoro-2-nitrophenylamine,pubchem8452,acmc-2098bg,timtec-bb sbb003647,buttpark 45\03-11,3-chloro-4-fluoro-6-nitroaniline,5-chloro-4-fluoro-2-nitro-aniline PubChem CID: 517835 IUPAC Name: 5-chloro-4-fluoro-2-nitroaniline SMILES: C1=C(C(=CC(=C1Cl)F)[N+](=O)[O-])N

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Specifications

PubChem CID	517835
CAS	104222-34-6
Molecular Weight (g/mol)	190.558
MDL Number	MFCD00052698
SMILES	C1=C(C(=CC(=C1Cl)F)[N+](=O)[O-])N
Synonym	2-nitro-4-fluoro-5-chloroaniline,benzenamine, 5-chloro-4-fluoro-2-nitro,benzenamine,5-chloro-4-fluoro-2-nitro,5-chloro-4-fluoro-2-nitrophenylamine,pubchem8452,acmc-2098bg,timtec-bb sbb003647,buttpark 45\03-11,3-chloro-4-fluoro-6-nitroaniline,5-chloro-4-fluoro-2-nitro-aniline
IUPAC Name	5-chloro-4-fluoro-2-nitroaniline
InChI Key	VRJKEIWZSOHDOH-UHFFFAOYSA-N
Molecular Formula	C6H4ClFN2O2

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]

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Specifications

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

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

Tantalum(V) methoxide

CAS: 865-35-0 Molecular Formula: C5H15O5Ta Molecular Weight (g/mol): 336.118 MDL Number: 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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Specifications

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

Organic zwitterions

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