ChemSpider 2D Image | 2-(~2~H_3_)Methyl(3,3,3-~2~H_3_)alanine | C4H3D6NO2

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

  • Molecular FormulaC4H3D6NO2
  • Average mass109.157 Da
  • Monoisotopic mass109.100990 Da
  • ChemSpider ID23976420
  • Non-standard isotope - Non-standard isotope


More details:






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

2-(2H3)Methyl(3,3,3-2H3)alanin [German] [ACD/IUPAC Name]
2-(2H3)Methyl(3,3,3-2H3)alanine [ACD/IUPAC Name]
2-(2H3)Méthyl(3,3,3-2H3)alanine [French] [ACD/IUPAC Name]
Alanine-3,3,3-d3, 2-methyl-d3- [ACD/Index Name]
2-amino-2-(2H3)methyl(2H3)propanoic acid
2-amino-3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid
2-Amino-iso-butyric-d6 Acid (dimethyl-d6)
50348-93-1 [RN]
MFCD12022173
α-Amino-iso-butyric-d6 Acid (dimethyl-d6)

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

Density: 1.1±0.1 g/cm3
Boiling Point: 204.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 48.6±6.0 kJ/mol
Flash Point: 77.4±22.6 °C
Index of Refraction: 1.464
Molar Refractivity: 25.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.33
ACD/LogD (pH 5.5): -2.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 10.2±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 92.9±3.0 cm3

Click to predict properties on the Chemicalize site






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