Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate
2-(3H-benzimidazol-1-ium-1-yl)ethyl-(3-methylbutyl)azanium;oxalate
Also Known As: AC1L1UHG|RefChem:325988|N-Isopentyl-benzimidazole-3-ethylamine sesquioxalate|BENZIMIDAZOLE-3-ETHYLAMINE, N-ISOPENTYL-, SESQUIOXALATE|C14-H21-N3.3/2C2-H2-O4|2-(3H-benzimidazol-1-ium-1-yl)ethyl-(3-methylbutyl)azanium; oxalate|3-{2-[(3-Methylbutyl)azaniumyl]ethyl}-1H-1,3-benzimidazol-3-ium ethanedioate
| Molecular Formula | C16H23N3O4 |
|---|---|
| Molecular Weight | 321.16885 g/mol |
| LogP | -2.45 |
| Topological Polar Surface Area | 116.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.16885 |
| Heavy Atoms | 23 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 31488-80-9 |
|---|---|
| SMILES | CC(C)CC[NH2+]CC[N+]1=CNC2=CC=CC=C21.C(=O)(C(=O)[O-])[O-] |
Product Overview
Benzimidazole-3-ethylamine, N-isopentyl-, sesquioxalate (CAS 31488-80-9), with molecular formula C16H23N3O4 and molecular weight 321.16885 g/mol. IUPAC: 2-(3H-benzimidazol-1-ium-1-yl)ethyl-(3-methylbutyl)azanium;oxalate.
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