Basic information
- CAS
31488-76-3- Standard SMILES
CC[NH2+]CC[n+]1c[nH]c2ccccc21.O=C([O-])C(=O)O.O=C([O-])C(=O)O- InChIKey
AMHNEPWQEYIJJC-UHFFFAOYSA-N- Molecular formula
- C15H19N3O8
- Average molar mass
- 369.33 g/mol
- Monoisotopic mass
- 369.11721457
Names & identifiers
- Preferred name
- Benzimidazole-3-ethylamine, N-ethyl-, dioxalate
- IUPAC
- 2-(3H-benzimidazol-1-ium-1-yl)ethyl-ethylazanium;bis(2-hydroxy-2-oxoacetate)
Names & synonyms
N-Ethyl-benzimidazole-3-ethylamine dioxalateBENZIMIDAZOLE-3-ETHYLAMINE, N-ETHYL-, DIOXALATE31488-76-3DTXSID20185383RefChem:325987DTXCID301078743-[2-(Ethylazaniumyl)ethyl]-1H-1,3-benzimidazol-3-ium bis(hydrogen ethanedioate)
Database identifiers
- CAS
31488-76-3- PubChem CID
- 35807
- DTXSID
DTXSID20185383
Properties
Computed structural properties
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…