ChemSpider 2D Image | 1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl(5-~2~H)-5H-2,3-benzodiazepine | C22H25DN2O4

1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl(5-2H)-5H-2,3-benzodiazepine

  • Molecular FormulaC22H25DN2O4
  • Average mass383.459 Da
  • Monoisotopic mass383.195526 Da
  • ChemSpider ID23499062

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl(5-2H)-5H-2,3-benzodiazepin [German] [ACD/IUPAC Name]
1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl(5-2H)-5H-2,3-benzodiazepine [ACD/IUPAC Name]
1-(3,4-Diméthoxyphényl)-5-éthyl-7,8-diméthoxy-4-méthyl(5-2H)-5H-2,3-benzodiazépine [French] [ACD/IUPAC Name]
5H-2,3-Benzodiazepine-5-d, 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl- [ACD/Index Name]
22345-47-7 [RN]
MFCD00823171 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 479.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 195.2±21.2 °C
Index of Refraction: 1.558
Molar Refractivity: 106.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 4.51
ACD/KOC (pH 5.5): 33.19
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 101.49
ACD/KOC (pH 7.4): 746.71
Polar Surface Area: 62 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 35.9±7.0 dyne/cm
Molar Volume: 331.2±7.0 cm3

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