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)
| 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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