ChemSpider 2D Image | (3S)-3-Amino-4-oxobutanamide | C4H8N2O2

(3S)-3-Amino-4-oxobutanamide

  • Molecular FormulaC4H8N2O2
  • Average mass116.118 Da
  • Monoisotopic mass116.058578 Da
  • ChemSpider ID26326682
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-3-Amino-4-oxobutanamid [German] [ACD/IUPAC Name]
(3S)-3-Amino-4-oxobutanamide [ACD/IUPAC Name]
(3S)-3-Amino-4-oxobutanamide [French] [ACD/IUPAC Name]
Butanamide, 3-amino-4-oxo-, (3S)- [ACD/Index Name]
1315053-37-2 [RN]
Benzoic acid, 4-(aminomethyl)- (9CI)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 342.1±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.6±3.0 kJ/mol
Flash Point: 160.7±26.5 °C
Index of Refraction: 1.487
Molar Refractivity: 27.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.38
ACD/LogD (pH 5.5): -2.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.48
Polar Surface Area: 86 Å2
Polarizability: 11.0±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 96.7±3.0 cm3

Click to predict properties on the Chemicalize site






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