Benzimidazole-3-ethylamine, N-benzyl-, dioxalate
Basic information
- CAS
31488-81-0- Standard SMILES
O=C([O-])C(=O)O.O=C([O-])C(=O)O.c1ccc(C[NH2+]CC[n+]2c[nH]c3ccccc32)cc1- InChIKey
PXPQJUCLUBEWTJ-UHFFFAOYSA-N- Molecular formula
- C20H21N3O8
- Average molar mass
- 431.4 g/mol
- Monoisotopic mass
- 431.13286464
Names & identifiers
- Preferred name
- Benzimidazole-3-ethylamine, N-benzyl-, dioxalate
- IUPAC
- 2-(3H-benzimidazol-1-ium-1-yl)ethyl-benzylazanium;bis(2-hydroxy-2-oxoacetate)
Names & synonyms
N-Benzyl-benzimidazole-3-ethylamine dioxalateBENZIMIDAZOLE-3-ETHYLAMINE, N-BENZYL-, DIOXALATE31488-81-0DTXSID60185387RefChem:325986DTXCID701078783-[2-(Benzylazaniumyl)ethyl]-1H-1,3-benzimidazol-3-ium bis(hydrogen ethanedioate)
Database identifiers
- CAS
31488-81-0- PubChem CID
- 35815
- DTXSID
DTXSID60185387
Properties
Computed structural properties
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 341
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Compound notes
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