RefChem:326257
N-[(5-chloro-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)propan-2-amine;hydrochloride
Also Known As: Benzo(b)thiophene-3-methylamine, 5-chloro-N-(2-chloroethyl)-N-isopropyl-, hydrochloride|5-Chloro-N-(2-chloroethyl)-N-isopropylbenzo(b)thiophene-3-methylamine hydrochloride|Benzo(b)thiophene-3-methanamine, 5-chloro-N-(2-chloroethyl)-N-(1-methylethyl)-, hydrochloride|N-[(5-chloro-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)propan-2-amine hydrochloride|N-[(5-Chloro-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)propan-2-amine--hydrogen chloride (1/1)
| Molecular Formula | C14H18Cl3NS |
|---|---|
| Molecular Weight | 337.02255 g/mol |
| LogP | 5.4257 |
| Topological Polar Surface Area | 31.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.02255 |
| Monoisotopic Mass | 337.02255 |
| Heavy Atoms | 19 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 17512-44-6 |
|---|---|
| SMILES | CC(C)N(CCCl)CC1=CSC2=C1C=C(C=C2)Cl.Cl |
| InChIKey | OQHJWRRRMUGPSP-UHFFFAOYSA-N |
Product Overview
RefChem:326257 (CAS 17512-44-6), with molecular formula C14H18Cl3NS and molecular weight 337.02255 g/mol. IUPAC: N-[(5-chloro-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)propan-2-amine;hydrochloride.