ChemSpider 2D Image | 3-Chloro(2,3,3-~2~H_3_)alanine | C3H3D3ClNO2

3-Chloro(2,3,3-2H3)alanine

  • Molecular FormulaC3H3D3ClNO2
  • Average mass126.557 Da
  • Monoisotopic mass126.027534 Da
  • ChemSpider ID58779724
  • Non-standard isotope - Non-standard isotope


More details:






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

3-Chlor(2,3,3-2H3)alanin [German] [ACD/IUPAC Name]
3-Chloro(2,3,3-2H3)alanine [ACD/IUPAC Name]
3-Chloro(2,3,3-2H3)alanine [French] [ACD/IUPAC Name]
Alanine-2,3,3-d3, 3-chloro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 243.6±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 52.9±6.0 kJ/mol
Flash Point: 101.1±24.6 °C
Index of Refraction: 1.499
Molar Refractivity: 25.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -2.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 10.3±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 88.1±3.0 cm3

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