AC1MII8C structure

AC1MII8C

3-[3-(tert-butylamino)-2-hydroxypropoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid;hydrochloride

Also Known As: Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride|3-[3-(tert-butylamino)-2-hydroxypropoxy]-4,5,6,7-tetrahydro-|3-[3-(tert-butylamino)-2-hydroxypropoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid hydrochloride|Benzo thiophene-2-carboxylicacid,4,5,6,7-tetrahydro-3-(3-( -,hydrochloride|3-[3-(tert-butylamino)-2-hydroxypropoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid,hydrochloride|3-[3-(tert-Butylamino)-2-hydroxypropoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid--hydrogen chloride (1/1)

CAS: 85462-87-9
Molecular Formula C16H26ClNO4S
Molecular Weight 363.1271 g/mol
LogP 2.8747
Topological Polar Surface Area 78.79 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 363.1271
Monoisotopic Mass 363.1271
Heavy Atoms 23
Complexity 538.9179

Chemical Identifiers

CAS Number 85462-87-9
SMILES CC(C)(C)NCC(COC1=C(SC2=C1CCCC2)C(=O)O)O.Cl

Product Overview

AC1MII8C (CAS 85462-87-9), with molecular formula C16H26ClNO4S and molecular weight 363.1271 g/mol. IUPAC: 3-[3-(tert-butylamino)-2-hydroxypropoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid;hydrochloride.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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