1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol hydrochloride

Base Information

• Chemical Name: 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol hydrochloride
• CAS No.: 2276-52-0
• Deprecated CAS: 22205-05-6,23559-80-0,41690-02-2,41819-21-0
• Molecular Formula: C19H27 N O . Cl H
• Molecular Weight: 321.93
• European Community (EC) Number: 218-896-9
• DSSTox Substance ID: DTXSID70944866
• ChEMBL ID: CHEMBL3989510
• Mol file: 2276-52-0.mol

Synonyms:2276-52-0;EINECS 218-896-9;1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol hydrochloride;Pentazocine HCl;2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, hydrochloride;C19H27NO.ClH;Pentazocinhydrochlorid;SCHEMBL40964;CHEMBL3989510;DTXSID70944866;22205-05-6;6,11-Dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol--hydrogen chloride (1/1)

Chemical Property of 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol hydrochloride

Chemical Property:

• Vapor Pressure: 4.35E-07mmHg at 25°C
• Boiling Point: 403.5°C at 760 mmHg
• Flash Point: 180.8°C
• PSA: 23.47000
• LogP: 4.62250
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 321.1859422
• Heavy Atom Count: 22
• Complexity: 414

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): 3
• Hazard Codes: 3

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O.Cl