ChemSpider 2D Image | (2S)-2-Amino(2,4,4,4-~2~H_4_)butanoic acid | C4H5D4NO2

(2S)-2-Amino(2,4,4,4-2H4)butanoic acid

  • Molecular FormulaC4H5D4NO2
  • Average mass107.144 Da
  • Monoisotopic mass107.088432 Da
  • ChemSpider ID107444295

  • 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

(2S)-2-Amino(2,4,4,4-2H4)butanoic acid [ACD/IUPAC Name]
(2S)-2-Amino(2,4,4,4-2H4)butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino(2,4,4,4-2H4)butanoïque [French] [ACD/IUPAC Name]
Butanoic-2,4,4,4-d4 acid, 2-amino-, (2S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 215.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.9 mmHg at 25°C
Enthalpy of Vaporization: 49.8±6.0 kJ/mol
Flash Point: 83.9±22.6 °C
Index of Refraction: 1.462
Molar Refractivity: 25.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.15
ACD/LogD (pH 5.5): -2.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.53
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: 43.5±3.0 dyne/cm
Molar Volume: 93.2±3.0 cm3

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