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

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Name

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

EINECS N/A
CAS No. 2276-52-0 Density N/A
PSA 23.47000 LogP 4.62250
Solubility N/A Melting Point N/A
Formula C19H27 N O . Cl H Boiling Point 403.5°C at 760 mmHg
Molecular Weight 321.93 Flash Point 180.8°C
Transport Information N/A Appearance N/A
Safety Poison by subcutaneous route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and HCl. Risk Codes N/A
Molecular Structure Molecular Structure of 2276-52-0 (1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol hydrochloride) Hazard Symbols 3
Synonyms

2,6-Methano-3-benzazocin-8-ol,1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, hydrochloride(8CI,9CI)

 

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

Empirical Formula of 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): C19H28ClNO
Molecular Weight: 321.8847 g/mol
EINECS: 218-896-9 
Flash Point: 180.8 °C
Enthalpy of Vaporization: 68.03 kJ/mol
Boiling Point: 403.5 °C at 760 mmHg
Vapour Pressure: 4.35E-07 mmHg at 25 °C
Structure of 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):
                                  
Canonical SMILES: CC1C2CC3=C(C1(CCN2CC=C(C)C)C)C=C(C=C3)O.Cl
InChI: InChI=1S/C19H27NO.ClH/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19;/h5-7,12,14,18,21H,8-11H2,1-4H3;1H
InChIKey: OQGYMIIFOSJQSF-UHFFFAOYSA-N

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

1.    

scu-mus TDLo:100 mg/kg (9D preg):TER

    DGDFA5    Development, Growth and Differentiation. 22 (1980),61.
2.    

orl-wmn TDLo:50 mg/kg

    IJMDAI    Israel Journal of Medical Sciences. 22 (1986),385. IJMDAI    Israel Journal of Medical Sciences. 22 (1986),385.
3.    

scu-mus LD50:126 mg/kg

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

Poison by subcutaneous route. An experimental teratogen. Experimental reproductive effects. When heated to decomposition 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) emits toxic fumes of NOx and HCl.

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

 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol hydrochloride , its cas register number is 2276-52-0. It also can be called 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-, hydrochloride .

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