ChemSpider 2D Image | (1R,4S)-4-(3,4-Dichlorophenyl)-N-(~2~H_3_)methyl-1,2,3,4-tetrahydro-1-naphthalenamine | C17H14D3Cl2N

(1R,4S)-4-(3,4-Dichlorophenyl)-N-(2H3)methyl-1,2,3,4-tetrahydro-1-naphthalenamine

  • Molecular FormulaC17H14D3Cl2N
  • Average mass309.248 Da
  • Monoisotopic mass308.092621 Da
  • ChemSpider ID78362025
  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(1R,4S)-4-(3,4-Dichlorophényl)-N-(2H3)méthyl-1,2,3,4-tétrahydro-1-naphtalénamine [French] [ACD/IUPAC Name]
(1R,4S)-4-(3,4-Dichlorophenyl)-N-(2H3)methyl-1,2,3,4-tetrahydro-1-naphthalenamine [ACD/IUPAC Name]
(1R,4S)-4-(3,4-Dichlorphenyl)-N-(2H3)methyl-1,2,3,4-tetrahydro-1-naphthalinamin [German] [ACD/IUPAC Name]
1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-(methyl-d3)-, (1R,4S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 416.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 205.6±28.7 °C
Index of Refraction: 1.621
Molar Refractivity: 85.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 4.56
ACD/KOC (pH 5.5): 14.05
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 46.45
ACD/KOC (pH 7.4): 143.18
Polar Surface Area: 12 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 243.9±5.0 cm3

Click to predict properties on the Chemicalize site






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