ChemSpider 2D Image | 6-Chloro-7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine | C11H14ClNO

6-Chloro-7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

  • Molecular FormulaC11H14ClNO
  • Average mass211.688 Da
  • Monoisotopic mass211.076385 Da
  • ChemSpider ID23318756

More details:

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

1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-7-methoxy- [ACD/Index Name]
6-Chlor-7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepin [German] [ACD/IUPAC Name]
6-Chloro-7-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine [ACD/IUPAC Name]
6-Chloro-7-méthoxy-2,3,4,5-tétrahydro-1H-3-benzazépine [French] [ACD/IUPAC Name]
461435-56-3 [RN]
6-chloro-7-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine
MFCD24566112

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 343.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.7±3.0 kJ/mol
Flash Point: 161.5±27.9 °C
Index of Refraction: 1.536
Molar Refractivity: 58.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.78
Polar Surface Area: 21 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 186.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement