2-Propanol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(4-(4-(2-thienyl)-1H-imidazol-2-yl)phenoxy)-, dihydrochloride, (S)-

Base Information

• Chemical Name: 2-Propanol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(4-(4-(2-thienyl)-1H-imidazol-2-yl)phenoxy)-, dihydrochloride, (S)-
• CAS No.: 85648-09-5
• Molecular Formula: C26H29 N3 O4 S . 2 Cl H
• Molecular Weight: 516.05
• UNII: TXX3AK0HXY
• ChEMBL ID: CHEMBL1788320
• Mol file: 85648-09-5.mol

Synonyms:(2-(3-(3,4-dimethoxyphenethylamino)-2-hydroxypropoxy)phenyl)-4-(2-thienyl)imidazole.2 hydrochloride;L 643717-01J10;L-643717-01J10;L643,717-01J10

Chemical Property of 2-Propanol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(4-(4-(2-thienyl)-1H-imidazol-2-yl)phenoxy)-, dihydrochloride, (S)-

Chemical Property:

• Vapor Pressure: 3.59E-23mmHg at 25°C
• Melting Point: 269-271oC
• Boiling Point: 742.8°C at 760 mmHg
• Flash Point: 403°C
• PSA: 116.87000
• LogP: 6.38930
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 551.1412330
• Heavy Atom Count: 36
• Complexity: 580

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)CCNCC(COC2=CC=C(C=C2)C3=NC=C(N3)C4=CC=CS4)O)OC.Cl.Cl
• Isomeric SMILES: COC1=C(C=C(C=C1)CCNC[C@@H](COC2=CC=C(C=C2)C3=NC=C(N3)C4=CC=CS4)O)OC.Cl.Cl