ChemSpider 2D Image | MFCD00084107 | C3H4D3NO2

MFCD00084107

  • Molecular FormulaC3H4D3NO2
  • Average mass92.112 Da
  • Monoisotopic mass92.066505 Da
  • ChemSpider ID21170358
  • 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

63546-27-0 [RN]
L-(3,3,3-2H3)Alanin [German] [ACD/IUPAC Name]
L-(3,3,3-2H3)Alanine [ACD/IUPAC Name]
L-(3,3,3-2H3)Alanine [French] [ACD/IUPAC Name]
L-Alanine-3,3,3-d3 [ACD/Index Name]
L-Alanine-3,3,3-d3
MFCD00084107
(2S)-2-amino-3,3,3-trideuteriopropanoic acid
(S)-2-Aminopropanoic Acid, L-a-Alanine
H-L-Ala-OH
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

489921_ALDRICH [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 212.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.9 mmHg at 25°C
Enthalpy of Vaporization: 49.5±6.0 kJ/mol
Flash Point: 82.6±22.6 °C
Index of Refraction: 1.460
Molar Refractivity: 21.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -2.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 8.3±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 76.7±3.0 cm3

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