4,5,6,7-Tetrahydro-3-(3-((1,1-Dimethylethyl)Amino)-2-Hydroxypropoxy)-Benzo(b)Thiophene-2-Carboxylic Acid Hydrochloride
[CAS# 85462-87-9]

Identification

• Name: 4,5,6,7-Tetrahydro-3-(3-((1,1-Dimethylethyl)Amino)-2-Hydroxypropoxy)-Benzo(b)Thiophene-2-Carboxylic Acid Hydrochloride
• Synonyms: 3-[3-(Tert-Butylamino)-2-Hydroxy-Propoxy]-4,5,6,7-Tetrahydrobenzothiophene-2-Carboxylic Acid Hydrochloride; 3-[3-(Tert-Butylamino)-2-Hydroxypropoxy]-4,5,6,7-Tetrahydrobenzothiophene-2-Carboxylic Acid Hydrochloride; 3-[3-(Tert-Butylamino)-2-Hydroxy-Propoxy]-4,5,6,7-Tetrahydro-1-Benzothiophene-2-Carboxylic Acid Hydrochloride
• Molecular Formula: C₁₆H₂₆ClNO₄S
• Molecular Weight: 363.90
• CAS Registry Number: 85462-87-9
• SMILES: [H+].C(NC(C)(C)C)C(O)COC1=C(SC2=C1CCCC2)C(O)=O.[Cl-]
• InChI: 1S/C16H25NO4S.ClH/c1-16(2,3)17-8-10(18)9-21-13-11-6-4-5-7-12(11)22-14(13)15(19)20;/h10,17-18H,4-9H2,1-3H3,(H,19,20);1H
• InChIKey: NOEXDXFXHVEDNU-UHFFFAOYSA-N

Properties

• Boiling point: 544.2°C at 760 mmHg (Cal.)
• Flash point: 282.9°C (Cal.)