2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl- supplier

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Name
metazocine
EINECS 223-097-3
CAS No. 3734-52-9
Article Data18
CAS DataBase
Density 1.077 g/cm³
Solubility
Melting Point 232-235°
Formula C₁₅H₂₁NO
Boiling Point 346.6 °C at 760 mmHg
Molecular Weight 231.338
Flash Point 160 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,3,4,5,6-Hexahydro-8-hydroxy-3,6,11-trimethyl-2,6-methano-3-benzazocine;Metazocinum [INN-Latin];Metazocina [DCIT];2-Hydroxy-2,5,9-trimethyl-6,7-benzomorphan;16864-61-2;METAZOCINE;Methobenzmorphan;Metazocine [BAN:DCF:INN];2,6-Methano-3-benzazocin-8-ol,1,2,3,4,5,6- hexahydro-3,6,11-trimethyl-;Metazocinum [Latin];Metazocina [Spanish];
PSA 23.47000
LogP 2.48410

2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl- Specification

The 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl- is an organic compound with the formula C₁₅H₂₁NO. The systematic name of this chemical is 3,6,11-Trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol. With the CAS registry number 3734-52-9, it is also named as 1,2,3,4,5,6-Hexahydro-3,6,11-trimethyl-2,6-methano-3-benzazocin-8-ol. Besides, its molecular weight is 231.3333.

Physical properties about 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl- are: (1)ACD/LogP: 2.92; (2)ACD/LogD (pH 5.5): -0.08; (3)ACD/LogD (pH 7.4): 1.14; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.62; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 15.37; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 12.47 Å²; (12)Index of Refraction: 1.563; (13)Molar Refractivity: 69.78 cm³; (14)Molar Volume: 214.7 cm³; (15)Polarizability: 27.66×10^-24 cm³; (16)Surface Tension: 39.1 dyne/cm; (17)Density: 1.077 g/cm³; (18)Flash Point: 160 °C; (19)Enthalpy of Vaporization: 61.42 kJ/mol; (20)Boiling Point: 346.6 °C at 760 mmHg; (21)Vapour Pressure: 2.84E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3
(2)InChIKey: YGSVZRIZCHZUHB-UHFFFAOYAZ
(3)Std. InChI: InChI=1S/C15H21NO/c1-10-14-8-11-4-5-12(17)9-13(11)15(10,2)6-7-16(14)3/h4-5,9-10,14,17H,6-8H2,1-3H3
(4)Std. InChIKey: YGSVZRIZCHZUHB-UHFFFAOYSA-N

Product Name

metazocine

2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-3,6,11-trimethyl- Specification

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