Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride

Base Information

• Chemical Name: Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride
• CAS No.: 85462-87-9
• Molecular Formula: C₁₆H₂₅NO₄S*ClH
• Molecular Weight: 363.906
• DSSTox Substance ID: DTXSID501005995
• Mol file: 85462-87-9.mol

Synonyms:85462-87-9;Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride;C16H25NO4S.ClH;DTXSID501005995;C16-H25-N-O4-S.Cl-H;LS-41168;3-[3-(tert-Butylamino)-2-hydroxypropoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid--hydrogen chloride (1/1);Benzo(b)thiophene-2-carboxylic acid,4,5,6,7-tetrahydro-3-(3-((1,1-dim ethylethyl)amino)-2-hydroxypropoxy)-,hydrochloride

Chemical Property of Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride

Chemical Property:

• Vapor Pressure: 1.12E-12mmHg at 25°C
• Boiling Point: 544.2°C at 760 mmHg
• Flash Point: 282.9°C
• PSA: 107.03000
• LogP: 3.64580
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 363.1271072
• Heavy Atom Count: 23
• Complexity: 385

Purity/Quality:

BENZO(B)THIOPHENE-2-CARBOXYLIC ACID, 4,5,6,7-TETRAHYDRO-3-(3-((1,1-DIM ETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-, HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)NCC(COC1=C(SC2=C1CCCC2)C(=O)O)O.Cl