ChemSpider 2D Image | N-(~2~H_1_)Methyl-L-alanine | C4H8DNO2

N-(2H1)Methyl-L-alanine

  • Molecular FormulaC4H8DNO2
  • Average mass104.126 Da
  • Monoisotopic mass104.069603 Da
  • ChemSpider ID68897633
  • 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

L-Alanine, N-methyl-d- [ACD/Index Name]
N-(2H1)Methyl-L-alanin [German] [ACD/IUPAC Name]
N-(2H1)Methyl-L-alanine [ACD/IUPAC Name]
N-(2H1)Méthyl-L-alanine [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 190.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.7 mmHg at 25°C
Enthalpy of Vaporization: 47.0±6.0 kJ/mol
Flash Point: 68.8±22.6 °C
Index of Refraction: 1.436
Molar Refractivity: 25.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -2.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 10.2±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 98.4±3.0 cm3

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