Registration Dossier
Registration Dossier
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EC number: 268-692-9 | CAS number: 68133-60-8
Reference substances
- IUPAC name:
- 1-benzyl-3-carboxylatopyridinium sodium chloride
Inventory
- EC number:
- 268-692-9
- EC name:
- 1-benzyl-3-carboxylatopyridinium sodium chloride
- CAS number:
- 68133-60-8
- CAS number:
- 68133-60-8
Synonyms
- Names:
- Pyridinium, 3-carboxy-1-(phenylmethyl)-, chloride, sodium salt
- Pyridinium, 3-carboxy-1-(phenylmethyl)-, hydroxide, inner salt
- Pyridinium, 3-carboxy-1-(phenylmethyl)-, inner salt
- Identifier:
- CAS number
- 15990-43-9
- Identifier:
- IUPAC name
- sodium chloride - 1-benzylpyridinium-3-carboxylate (1:1)
- Identifier:
- other: InChl
- 1/C13H11NO2.ClH.Na/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;;/h1-8,10H,9H2;1H;/q;;+1/p-1
- Identifier:
- other: Molecular formula
- C13H12NO2.Cl.Na
- Identifier:
- other: SMILES notation
- [Na+].[Cl-].O=C([O-])c2ccc[n+](Cc1ccccc1)c2
- sodium chloride - 1-benzylpyridinium-3-carboxylate (1:1)
Molecular and structural information
- Molecular formula:
- C13H12NO2.Cl.Na
- Molecular weight:
- 271.675
- SMILES notation:
- [Na+].[Cl-].[O-]C(=O)c1ccc[n+](Cc2ccccc2)c1
- InChl:
- InChI=1/C13H11NO2.ClH.Na/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;;/h1-8,10H,9H2;1H;/q;;+1/p-1
- Structural formula:
Related substances
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