ChemSpider 2D Image | 3-[3-Chloro(~2~H_6_)propyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one | C15H14D6ClNO3

3-[3-Chloro(2H6)propyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one

  • Molecular FormulaC15H14D6ClNO3
  • Average mass303.814 Da
  • Monoisotopic mass303.150818 Da
  • ChemSpider ID107433904

  • Non-standard isotope - Non-standard isotope

More details:

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

2H-3-Benzazepin-2-one, 3-(3-chloropropyl-1,1,2,2,3,3-d6)-1,3,4,5-tetrahydro-7,8-dimethoxy- [ACD/Index Name]
3-[3-Chlor(2H6)propyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-on [German] [ACD/IUPAC Name]
3-[3-Chloro(2H6)propyl]-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one [ACD/IUPAC Name]
3-[3-Chloro(2H6)propyl]-7,8-diméthoxy-1,3,4,5-tétrahydro-2H-3-benzazépin-2-one [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 476.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 241.8±28.7 °C
Index of Refraction: 1.531
Molar Refractivity: 78.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.89
ACD/KOC (pH 5.5): 571.57
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.89
ACD/KOC (pH 7.4): 571.57
Polar Surface Area: 39 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 255.0±3.0 cm3

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