ChemSpider 2D Image | (2S,3R)-3-Methyl-2-aziridinecarboxylic acid | C4H7NO2

(2S,3R)-3-Methyl-2-aziridinecarboxylic acid

  • Molecular FormulaC4H7NO2
  • Average mass101.104 Da
  • Monoisotopic mass101.047676 Da
  • ChemSpider ID32033408

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3R)-3-Methyl-2-aziridincarbonsäure [German] [ACD/IUPAC Name]
(2S,3R)-3-Methyl-2-aziridinecarboxylic acid [ACD/IUPAC Name]
2-Aziridinecarboxylic acid, 3-methyl-, (2S,3R)- [ACD/Index Name]
Acide (2S,3R)-3-méthyl-2-aziridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 221.1±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 50.4±6.0 kJ/mol
Flash Point: 87.5±25.4 °C
Index of Refraction: 1.486
Molar Refractivity: 23.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -3.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 59 Å2
Polarizability: 9.3±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 81.5±3.0 cm3

Click to predict properties on the Chemicalize site


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