ChemSpider 2D Image | (1S)-N,N-Bis[(~2~H_3_)methyl]-3-(1-naphthyloxy)-1-phenyl-1-propanamine | C21H17D6NO

(1S)-N,N-Bis[(2H3)methyl]-3-(1-naphthyloxy)-1-phenyl-1-propanamine

  • Molecular FormulaC21H17D6NO
  • Average mass311.450 Da
  • Monoisotopic mass311.215637 Da
  • ChemSpider ID78362027

  • 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

(1S)-N,N-Bis[(2H3)methyl]-3-(1-naphthyloxy)-1-phenyl-1-propanamin [German] [ACD/IUPAC Name]
(1S)-N,N-Bis[(2H3)methyl]-3-(1-naphthyloxy)-1-phenyl-1-propanamine [ACD/IUPAC Name]
(1S)-N,N-Bis[(2H3)méthyl]-3-(1-naphtyloxy)-1-phényl-1-propanamine [French] [ACD/IUPAC Name]
Benzenemethanamine, N,N-di(methyl-d3)-α-[2-(1-naphthalenyloxy)ethyl]-, (αS)- [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: 454.4±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 132.6±29.1 °C
Index of Refraction: 1.607
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 3.83
ACD/KOC (pH 5.5): 15.81
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 173.55
ACD/KOC (pH 7.4): 716.09
Polar Surface Area: 12 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 282.3±3.0 cm3

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