ChemSpider 2D Image | (4S)-2,3-Dimethyl-4-phenyl-4,5-dihydro-3H-1,3-benzodiazepine | C17H18N2

(4S)-2,3-Dimethyl-4-phenyl-4,5-dihydro-3H-1,3-benzodiazepine

  • Molecular FormulaC17H18N2
  • Average mass250.338 Da
  • Monoisotopic mass250.147003 Da
  • ChemSpider ID34986826

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-2,3-Dimethyl-4-phenyl-4,5-dihydro-3H-1,3-benzodiazepin [German] [ACD/IUPAC Name]
(4S)-2,3-Dimethyl-4-phenyl-4,5-dihydro-3H-1,3-benzodiazepine [ACD/IUPAC Name]
(4S)-2,3-Diméthyl-4-phényl-4,5-dihydro-3H-1,3-benzodiazépine [French] [ACD/IUPAC Name]
3H-1,3-Benzodiazepine, 4,5-dihydro-2,3-dimethyl-4-phenyl-, (4S)- [ACD/Index Name]
75991-50-3 [RN]
DAZEPINIL
UNII-730EPY2HSM

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

8XQB4DO2W9 [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: 383.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 185.5±30.7 °C
Index of Refraction: 1.597
Molar Refractivity: 79.9±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 13.56
ACD/LogD (pH 7.4): 1.31
ACD/BCF (pH 7.4): 2.02
ACD/KOC (pH 7.4): 16.46
Polar Surface Area: 16 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 38.8±7.0 dyne/cm
Molar Volume: 234.5±7.0 cm3

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