Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate
2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium;bis(2-hydroxy-2-oxoacetate)
Also Known As: AC1L1UHY|RefChem:325985|N-3,4,5-Trimethoxybenzyl-benzimidazole-3-ethylamine dioxalate|BENZIMIDAZOLE-3-ETHYLAMINE, N-(3,4,5-TRIMETHOXYBENZYL)-, DIOXALATE|2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium; 2-hydroxy-2-oxoacetate|3-(2-{[(3,4,5-Trimethoxyphenyl)methyl]azaniumyl}ethyl)-1H-1,3-benzimidazol-3-ium bis(hydrogen ethanedioate)
| Molecular Formula | C23H27N3O11 |
|---|---|
| Molecular Weight | 521.16455 g/mol |
| LogP | -3.11 |
| Topological Polar Surface Area | 218.83 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.16455 |
| Heavy Atoms | 37 |
| Complexity | 1150.6 |
Chemical Identifiers
| CAS Number | 31488-83-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C[NH2+]CC[N+]2=CNC3=CC=CC=C32.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O |
Product Overview
Benzimidazole-3-ethylamine, N-(3,4,5-trimethoxybenzyl)-, dioxalate (CAS 31488-83-2), with molecular formula C23H27N3O11 and molecular weight 521.16455 g/mol. IUPAC: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium;bis(2-hydroxy-2-oxoacetate).
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