ChemSpider 2D Image | 8-Chloro-1,1-dimethyl-2,3,4,5-tetrahydro-1H-3-benzazepine | C12H16ClN

8-Chloro-1,1-dimethyl-2,3,4,5-tetrahydro-1H-3-benzazepine

  • Molecular FormulaC12H16ClN
  • Average mass209.715 Da
  • Monoisotopic mass209.097122 Da
  • ChemSpider ID23309895

More details:

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

1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1,1-dimethyl- [ACD/Index Name]
8-Chlor-1,1-dimethyl-2,3,4,5-tetrahydro-1H-3-benzazepin [German] [ACD/IUPAC Name]
8-Chloro-1,1-dimethyl-2,3,4,5-tetrahydro-1H-3-benzazepine [ACD/IUPAC Name]
8-Chloro-1,1-diméthyl-2,3,4,5-tétrahydro-1H-3-benzazépine [French] [ACD/IUPAC Name]
1006037-51-9 [RN]
8-chloro-2,3,4,5-tetrahydro-1,1-dimethyl-1H-3-benzazepine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL398926/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 294.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.5±3.0 kJ/mol
Flash Point: 132.2±27.3 °C
Index of Refraction: 1.517
Molar Refractivity: 60.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.40
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.34
Polar Surface Area: 12 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 200.4±3.0 cm3

Click to predict properties on the Chemicalize site


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