Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate
Basic information
- CAS
31488-83-2- Standard SMILES
COc1cc(C[NH2+]CC[n+]2c[nH]c3ccccc32)cc(OC)c1OC.O=C([O-])C(=O)O.O=C([O-])C(=O)O- InChIKey
UQSBRLDLRFZBSK-UHFFFAOYSA-N- Molecular formula
- C23H27N3O11
- Average molar mass
- 521.5 g/mol
- Monoisotopic mass
- 521.16455869
Names & identifiers
- Preferred name
- Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate
- IUPAC
- 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium;bis(2-hydroxy-2-oxoacetate)
Names & synonyms
BENZIMIDAZOLE-3-ETHYLAMINE, N-(3,4,5-TRIMETHOXYBENZYL)-, DIOXALATEN-3,4,5-Trimethoxybenzyl-benzimidazole-3-ethylamine dioxalate31488-83-2DTXSID80185389RefChem:325985DTXCID401078803-(2-{[(3,4,5-Trimethoxyphenyl)methyl]azaniumyl}ethyl)-1H-1,3-benzimidazol-3-ium bis(hydrogen ethanedioate)
Database identifiers
- CAS
31488-83-2- PubChem CID
- 35819
- DTXSID
DTXSID80185389
Properties
Computed structural properties
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 462
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…