ChemSpider 2D Image | 5-(3,4-Diethoxyphenyl)-7-ethyl-2-[4-(2-methyl-2-propanyl)phenyl]-1H-1,3,4-benzotriazepine | C30H35N3O2

5-(3,4-Diethoxyphenyl)-7-ethyl-2-[4-(2-methyl-2-propanyl)phenyl]-1H-1,3,4-benzotriazepine

  • Molecular FormulaC30H35N3O2
  • Average mass469.618 Da
  • Monoisotopic mass469.272919 Da
  • ChemSpider ID17826836

More details:

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

3H-1,3,4-Benzotriazepine, 5-(3,4-diethoxyphenyl)-2-[4-(1,1-dimethylethyl)phenyl]-7-ethyl- [ACD/Index Name]
5-(3,4-Diethoxyphenyl)-7-ethyl-2-[4-(2-methyl-2-propanyl)phenyl]-1H-1,3,4-benzotriazepin [German] [ACD/IUPAC Name]
5-(3,4-Diethoxyphenyl)-7-ethyl-2-[4-(2-methyl-2-propanyl)phenyl]-1H-1,3,4-benzotriazepine [ACD/IUPAC Name]
5-(3,4-Diéthoxyphényl)-7-éthyl-2-[4-(2-méthyl-2-propanyl)phényl]-1H-1,3,4-benzotriazépine [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 603.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.6±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 142.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.62
ACD/LogD (pH 5.5): 6.89
ACD/BCF (pH 5.5): 101966.42
ACD/KOC (pH 5.5): 133467.56
ACD/LogD (pH 7.4): 6.90
ACD/BCF (pH 7.4): 102996.42
ACD/KOC (pH 7.4): 134815.78
Polar Surface Area: 55 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 37.7±7.0 dyne/cm
Molar Volume: 428.2±7.0 cm3

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