ChemSpider 2D Image | (6S,8R)-3-Chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydro-2-naphthalenol | C18H20ClNO

(6S,8R)-3-Chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydro-2-naphthalenol

  • Molecular FormulaC18H20ClNO
  • Average mass301.810 Da
  • Monoisotopic mass301.123352 Da
  • ChemSpider ID23206615

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S,8R)-3-Chlor-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydro-2-naphthalinol [German] [ACD/IUPAC Name]
(6S,8R)-3-Chloro-6-(diméthylamino)-8-phényl-5,6,7,8-tétrahydro-2-naphtalénol [French] [ACD/IUPAC Name]
(6S,8R)-3-Chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydro-2-naphthalenol [ACD/IUPAC Name]
(6S,8R)-3-chloro-6-(dimethylamino)-8-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
2-Naphthalenol, 3-chloro-6-(dimethylamino)-5,6,7,8-tetrahydro-8-phenyl-, (6S,8R)- [ACD/Index Name]
(6S,8R)-3-Chloro-6-dimethylamino-8-phenyl-5,6,7,8-tetrahydro-naphthalen-2-ol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL333811/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 423.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 210.0±28.7 °C
Index of Refraction: 1.632
Molar Refractivity: 87.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 8.31
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 54.13
ACD/KOC (pH 7.4): 253.88
Polar Surface Area: 23 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 245.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement