ChemSpider 2D Image | (3S)-3-Amino-4-(2,2-~2~H_2_)tridecanone | C13H25D2NO

(3S)-3-Amino-4-(2,2-2H2)tridecanone

  • Molecular FormulaC13H25D2NO
  • Average mass215.372 Da
  • Monoisotopic mass215.221817 Da
  • ChemSpider ID24604523

  • 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

(3S)-3-Amino-4-(2,2-2H2)tridecanon [German] [ACD/IUPAC Name]
(3S)-3-Amino-4-(2,2-2H2)tridecanone [ACD/IUPAC Name]
(3S)-3-Amino-4-(2,2-2H2)tridécanone [French] [ACD/IUPAC Name]
4-Tridecanone-2,2-d2, 3-amino-, (3S)- [ACD/Index Name]
(S)-3-amintridecan-4-one-2,2-D2

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

Density: 0.9±0.1 g/cm3
Boiling Point: 297.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.7±3.0 kJ/mol
Flash Point: 133.5±22.6 °C
Index of Refraction: 1.451
Molar Refractivity: 65.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 1.87
ACD/KOC (pH 5.5): 11.93
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 94.47
ACD/KOC (pH 7.4): 603.59
Polar Surface Area: 43 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 32.0±3.0 dyne/cm
Molar Volume: 244.3±3.0 cm3

Click to predict properties on the Chemicalize site


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