RefChem:333122
3-(azepan-1-ium-1-yl)propyl N-(2-pentoxyphenyl)carbamate chloride
Also Known As: RefChem:333122|BK-61|AC1L18SE|Carbamic acid, (2-(pentyloxy)phenyl)-, 3-(hexahydro-1H-azepin-1-yl)propyl ester hydrochloride|Carbanilic acid, o-(pentyloxy)-, 3-(hexahydro-1H-azepin-1-yl)propyl ester, hydrochloride|o-(Pentyloxy)carbanilic acid 3-(hexahydro-1H-azepin-1-yl)propyl ester carbanilic acid|3-(azepan-1-ium-1-yl)propyl N-(2-pentoxyphenyl)carbamate chloride
| Molecular Formula | C21H35ClN2O3 |
|---|---|
| Molecular Weight | 398.2336 g/mol |
| LogP | 0.66 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 398.2336 |
| Heavy Atoms | 27 |
| Complexity | 519.9 |
Chemical Identifiers
| CAS Number | 68931-14-6 |
|---|---|
| SMILES | CCCCCOC1=CC=CC=C1NC(=O)OCCC[NH+]2CCCCCC2.[Cl-] |
Product Overview
RefChem:333122 (CAS 68931-14-6), with molecular formula C21H35ClN2O3 and molecular weight 398.2336 g/mol. IUPAC: 3-(azepan-1-ium-1-yl)propyl N-(2-pentoxyphenyl)carbamate chloride.
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