ChemSpider 2D Image | (1S)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine | C11H14ClN

(1S)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

  • Molecular FormulaC11H14ClN
  • Average mass195.689 Da
  • Monoisotopic mass195.081482 Da
  • ChemSpider ID23245664

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-8-Chlor-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin [German] [ACD/IUPAC Name]
(1S)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine [ACD/IUPAC Name]
(1S)-8-Chloro-1-méthyl-2,3,4,5-tétrahydro-1H-3-benzazépine [French] [ACD/IUPAC Name]
1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, (1S)- [ACD/Index Name]
(1S)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine
(5S)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
(S)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
1H-3-Benzazepine,8-chloro-2,3,4,5-tetrahydro-1-methyl-,(1S)
616202-81-4 [RN]
CHEMBL178365

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

Density: 1.1±0.1 g/cm3
Boiling Point: 288.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.7±3.0 kJ/mol
Flash Point: 128.1±27.3 °C
Index of Refraction: 1.527
Molar Refractivity: 56.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.69
Polar Surface Area: 12 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 182.0±3.0 cm3

Click to predict properties on the Chemicalize site


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