ChemSpider 2D Image | N-(~2~H_3_)Methyl-beta-alanine | C4H6D3NO2

N-(2H3)Methyl-β-alanine

  • Molecular FormulaC4H6D3NO2
  • Average mass106.138 Da
  • Monoisotopic mass106.082161 Da
  • ChemSpider ID48061968

  • Non-standard isotope - Non-standard isotope

More details:

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

N-(2H3)Methyl-β-alanin [German] [ACD/IUPAC Name]
N-(2H3)Methyl-β-alanine [ACD/IUPAC Name]
N-(2H3)Méthyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-methyl-d3- [ACD/Index Name]
1216493-51-4 [RN]
3-(trideuteriomethylamino)propanoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 217.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.9 mmHg at 25°C
Enthalpy of Vaporization: 50.0±6.0 kJ/mol
Flash Point: 85.2±22.6 °C
Index of Refraction: 1.438
Molar Refractivity: 25.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.62
ACD/LogD (pH 5.5): -2.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.98
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: 36.6±3.0 dyne/cm
Molar Volume: 98.0±3.0 cm3

Click to predict properties on the Chemicalize site


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