Morphinan-3-ol,17-(cyclobutylmethyl)-8-methyl-6-methylene-, (8b)- supplier

Name
Xorphanol
EINECS
CAS No. 77287-89-9
Article Data2
CAS DataBase
Density 1.14 g/cm³
Solubility
Melting Point
Formula C₂₃H₃₁NO
Boiling Point 476.5 °C at 760 mmHg
Molecular Weight 337.505
Flash Point 228.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 17-(Cyclobutylmethyl)-8b-methyl-6-methylenemorphinan-3-ol;17-Cyclobutylmethyl-3-hydroxy-8b-methyl-6-methylenemorphinane;N-(Cyclobutylmethyl)-8 beta-methyl-6-methylenemorphinan-3-ol;Xorphanol;(8b)-17-(Cyclobutylmethyl)-8-methyl-6-methylidenemorphinan-3-ol;9a-Cyclobutylmethyl-8beta-methyl-6-methylen-3-morphinanol;
PSA 23.47000
LogP 4.60070

Morphinan-3-ol,17-(cyclobutylmethyl)-8-methyl-6-methylene-, (8b)- Specification

The Morphinan-3-ol,17-(cyclobutylmethyl)-8-methyl-6-methylene-, (8b)-, with the CAS registry number 77287-89-9, is also known as N-(Cyclobutylmethyl)-8 beta-methyl-6-methylenemorphinan-3-ol. This chemical's molecular formula is C₂₃H₃₁NO and molecular weight is 337.50. What's more, its systematic name is (8b)-17-(Cyclobutylmethyl)-8-methyl-6-methylidenemorphinan-3-ol.

Physical properties of Morphinan-3-ol,17-(cyclobutylmethyl)-8-methyl-6-methylene-, (8b)- are: (1)ACD/LogP: 5.65; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 4.26; (5)ACD/BCF (pH 5.5): 15.25; (6)ACD/BCF (pH 7.4): 470.59; (7)ACD/KOC (pH 5.5): 37.17; (8)ACD/KOC (pH 7.4): 1147; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 102.16 cm³; (15)Molar Volume: 293.7 cm³; (16)Polarizability: 40.5×10^-24cm³; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.14 g/cm³; (19)Flash Point: 228.4 °C; (20)Enthalpy of Vaporization: 76.84 kJ/mol; (21)Boiling Point: 476.5 °C at 760 mmHg; (22)Vapour Pressure: 1.06E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1CC(=C)CC23C1C(CC4=C2C=C(C=C4)O)N(CC3)CC5CCC5
(2)InChI: InChI=1S/C23H31NO/c1-15-10-16(2)22-21-11-18-6-7-19(25)12-20(18)23(22,13-15)8-9-24(21)14-17-4-3-5-17/h6-7,12,16-17,21-22,25H,1,3-5,8-11,13-14H2,2H3/t16-,21+,22-,23+/m0/s1
(3)InChIKey: AZJPPZHRNFQRRE-AZIXLERZSA-N

Product Name

Xorphanol

Morphinan-3-ol,17-(cyclobutylmethyl)-8-methyl-6-methylene-, (8b)- Specification

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