ChemSpider 2D Image | (1R)-3-Allyl-6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol | C19H20ClNO3

(1R)-3-Allyl-6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

  • Molecular FormulaC19H20ClNO3
  • Average mass345.820 Da
  • Monoisotopic mass345.113159 Da
  • ChemSpider ID26348786

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-3-Allyl-6-chlor-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7,8-diol [German] [ACD/IUPAC Name]
(1R)-3-Allyl-6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol [ACD/IUPAC Name]
(1R)-3-Allyl-6-chloro-1-(4-hydroxyphényl)-2,3,4,5-tétrahydro-1H-3-benzazépine-7,8-diol [French] [ACD/IUPAC Name]
1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-3-(2-propen-1-yl)-, (1R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1789878/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 521.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 269.2±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 95.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 11.12
ACD/KOC (pH 5.5): 89.90
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 134.74
ACD/KOC (pH 7.4): 1089.43
Polar Surface Area: 64 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 265.7±3.0 cm3

Click to predict properties on the Chemicalize site


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