ChemSpider 2D Image | (S)-asocainol | C27H31NO3

(S)-asocainol

  • Molecular FormulaC27H31NO3
  • Average mass417.540 Da
  • Monoisotopic mass417.230408 Da
  • ChemSpider ID34991559

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(6S)-2,12-Dimethoxy-7-methyl-6-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-dibenzo[d,f]azonin-1-ol [German] [ACD/IUPAC Name]
(6S)-2,12-Dimethoxy-7-methyl-6-(2-phenylethyl)-6,7,8,9-tetrahydro-5H-dibenzo[d,f]azonin-1-ol [ACD/IUPAC Name]
(6S)-2,12-Diméthoxy-7-méthyl-6-(2-phényléthyl)-6,7,8,9-tétrahydro-5H-dibenzo[d,f]azonin-1-ol [French] [ACD/IUPAC Name]
(S)-asocainol
5H-Dibenz[d,f]azonin-1-ol, 6,7,8,9-tetrahydro-2,12-dimethoxy-7-methyl-6-(2-phenylethyl)-, (6S)- [ACD/Index Name]
77400-65-8 [RN]
ASOCAINOL [INN]
ASOCAINOL, (S)-
UNII-J40338OKKT

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

12CSL3P9F8 [DBID]
UNII:12CSL3P9F8 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 597.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 314.9±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 125.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 9.86
ACD/KOC (pH 5.5): 28.02
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 337.53
ACD/KOC (pH 7.4): 959.03
Polar Surface Area: 42 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 375.0±3.0 cm3

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