ChemSpider 2D Image | (3R)-3-(4-Chlorophenyl)-N,N-bis[(~2~H_3_)methyl]-3-(2-pyridinyl)-1-propanamine | C16H13D6ClN2

(3R)-3-(4-Chlorophenyl)-N,N-bis[(2H3)methyl]-3-(2-pyridinyl)-1-propanamine

  • Molecular FormulaC16H13D6ClN2
  • Average mass280.825 Da
  • Monoisotopic mass280.161346 Da
  • ChemSpider ID78076111

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R)-3-(4-Chlorophenyl)-N,N-bis[(2H3)methyl]-3-(2-pyridinyl)-1-propanamine [ACD/IUPAC Name]
(3R)-3-(4-Chlorophényl)-N,N-bis[(2H3)méthyl]-3-(2-pyridinyl)-1-propanamine [French] [ACD/IUPAC Name]
(3R)-3-(4-Chlorphenyl)-N,N-bis[(2H3)methyl]-3-(2-pyridinyl)-1-propanamin [German] [ACD/IUPAC Name]
2-Pyridinepropanamine, γ-(4-chlorophenyl)-N,N-di(methyl-d3)-, (γR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 379.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 183.0±27.9 °C
Index of Refraction: 1.565
Molar Refractivity: 80.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.54
ACD/KOC (pH 7.4): 13.37
Polar Surface Area: 16 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 248.0±3.0 cm3

Click to predict properties on the Chemicalize site


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