ChemSpider 2D Image | (S)-Aspartimide | C4H6N2O2

(S)-Aspartimide

  • Molecular FormulaC4H6N2O2
  • Average mass114.103 Da
  • Monoisotopic mass114.042931 Da
  • ChemSpider ID16743737

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-Aspartimide
(3S)-3-Amino-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
(3S)-3-Amino-2,5-pyrrolidinedione [ACD/IUPAC Name]
(3S)-3-Amino-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]
2,5-Pyrrolidinedione, 3-amino-, (3S)- [ACD/Index Name]
aspartimide
L-3-aminosuccinimide
(3S)-3-Aminopyrrolidine-2,5-dione
2,5-PYRROLIDINEDIONE, 3-AMINO-, (S)-
3-Aminosuccinimide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 337.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.0±3.0 kJ/mol
Flash Point: 157.6±25.9 °C
Index of Refraction: 1.512
Molar Refractivity: 25.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.02
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.76
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.81
Polar Surface Area: 72 Å2
Polarizability: 10.2±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 85.3±3.0 cm3

Click to predict properties on the Chemicalize site


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