Basic information
- CAS
31488-80-9- Standard SMILES
CC(C)CC[NH2+]CC[n+]1c[nH]c2ccccc21.O=C([O-])C(=O)[O-]- InChIKey
NSLMSAPIPOVEJK-UHFFFAOYSA-N- Molecular formula
- C16H23N3O4
- Average molar mass
- 321.37 g/mol
- Monoisotopic mass
- 321.16885622
Names & identifiers
- Preferred name
- Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate
- IUPAC
- 2-(3H-benzimidazol-1-ium-1-yl)ethyl-(3-methylbutyl)azanium;oxalate
Names & synonyms
BENZIMIDAZOLE-3-ETHYLAMINE, N-ISOPENTYL-, SESQUIOXALATEN-Isopentyl-benzimidazole-3-ethylamine sesquioxalate31488-80-9DTXSID00185386RefChem:325988DTXCID101078773-{2-[(3-Methylbutyl)azaniumyl]ethyl}-1H-1,3-benzimidazol-3-ium ethanedioate
Database identifiers
- CAS
31488-80-9- PubChem CID
- 35813
- DTXSID
DTXSID00185386
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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