ChemSpider 2D Image | (1R,2S)-2-Phenyl(3,3-~2~H_2_)cyclopropanamine | C9H9D2N

(1R,2S)-2-Phenyl(3,3-2H2)cyclopropanamine

  • Molecular FormulaC9H9D2N
  • Average mass135.203 Da
  • Monoisotopic mass135.101700 Da
  • ChemSpider ID67152818
  • 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,2S)-2-Phenyl(3,3-2H2)cyclopropanamin [German] [ACD/IUPAC Name]
(1R,2S)-2-Phenyl(3,3-2H2)cyclopropanamine [ACD/IUPAC Name]
(1R,2S)-2-Phényl(3,3-2H2)cyclopropanamine [French] [ACD/IUPAC Name]
Cyclopropan-2,2-d2-amine, 3-phenyl-, (1R,3S)- [ACD/Index Name]
trans-3,3-dideuterio-2-phenylcyclopropylamine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 218.3±29.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.5±3.0 kJ/mol
Flash Point: 90.8±19.6 °C
Index of Refraction: 1.584
Molar Refractivity: 41.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.25
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.63
Polar Surface Area: 26 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 125.0±3.0 cm3

Click to predict properties on the Chemicalize site






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