Benzimidazole-3-ethylamine, N-p-methoxybenzyl-, dioxalate
Basic information
- CAS
31488-82-1- Standard SMILES
COc1ccc(C[NH2+]CC[n+]2c[nH]c3ccccc32)cc1.O=C([O-])C(=O)O.O=C([O-])C(=O)O- InChIKey
MYGJCBOQHCFCKE-UHFFFAOYSA-N- Molecular formula
- C21H23N3O9
- Average molar mass
- 461.4 g/mol
- Monoisotopic mass
- 461.14342932
Names & identifiers
- Preferred name
- Benzimidazole-3-ethylamine, N-p-methoxybenzyl-, dioxalate
- IUPAC
- 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(4-methoxyphenyl)methyl]azanium;bis(2-hydroxy-2-oxoacetate)
Names & synonyms
BENZIMIDAZOLE-3-ETHYLAMINE, N-p-METHOXYBENZYL-, DIOXALATEN-p-Methoxybenzyl-benzimidazole-3-ethylamine dioxalate31488-82-1DTXSID20185388RefChem:325989DTXCID301078793-(2-{[(4-Methoxyphenyl)methyl]azaniumyl}ethyl)-1H-1,3-benzimidazol-3-ium bis(hydrogen ethanedioate)
Database identifiers
- CAS
31488-82-1- PubChem CID
- 35817
- DTXSID
DTXSID20185388
Properties
Computed structural properties
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 382
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Compound notes
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