ChemSpider 2D Image | (5S)-8-Chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol | C16H16ClNO

(5S)-8-Chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol

  • Molecular FormulaC16H16ClNO
  • Average mass273.757 Da
  • Monoisotopic mass273.092041 Da
  • ChemSpider ID22900869
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5S)-8-Chlor-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol [German] [ACD/IUPAC Name]
(5S)-8-Chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol [ACD/IUPAC Name]
(5S)-8-Chloro-5-phényl-2,3,4,5-tétrahydro-1H-3-benzazépin-7-ol [French] [ACD/IUPAC Name]
1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-phenyl-, (5S)- [ACD/Index Name]
135556-21-7 [RN]
8-Chloro-2,3,4,5-tetrahydro-5-phenyl-1H-3-benzazepin-7-ol, hydrochloride, (S)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 426.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 211.8±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 77.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.25
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 13.81
Polar Surface Area: 32 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 224.6±3.0 cm3

Click to predict properties on the Chemicalize site






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