ChemSpider 2D Image | RP-68651 | C29H30N2O2

RP-68651

  • Molecular FormulaC29H30N2O2
  • Average mass438.561 Da
  • Monoisotopic mass438.230713 Da
  • ChemSpider ID23136941

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,7aS)-2-[2-(2-Methoxyphenyl)ethanimidoyl]-7,7-diphenyloctahydro-4H-isoindol-4-on [German] [ACD/IUPAC Name]
(3aS,7aS)-2-[2-(2-Methoxyphenyl)ethanimidoyl]-7,7-diphenyloctahydro-4H-isoindol-4-one [ACD/IUPAC Name]
(3aS,7aS)-2-[2-(2-Méthoxyphényl)ethanimidoyl]-7,7-diphényloctahydro-4H-isoindol-4-one [French] [ACD/IUPAC Name]
146610-76-6 [RN]
4H-Isoindol-4-one, octahydro-2-[1-imino-2-(2-methoxyphenyl)ethyl]-7,7-diphenyl-, (3aS,7aS)- [ACD/Index Name]
5B491RN7N2
RP-68651
2-[1-Imino-2-(2-methoxy-phenyl)-ethyl]-7,7-diphenyl-octahydro-isoindol-4-one
UNII:5B491RN7N2

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

RP-67580 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 588.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.7±32.9 °C
Index of Refraction: 1.627
Molar Refractivity: 131.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 20.58
ACD/KOC (pH 5.5): 81.93
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 20.92
ACD/KOC (pH 7.4): 83.27
Polar Surface Area: 53 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 372.3±7.0 cm3

Click to predict properties on the Chemicalize site


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