ChemSpider 2D Image | (3S)-3-[(2S)-2-Amino-3-hydroxybutyl]-2-pyrrolidinone | C8H16N2O2

(3S)-3-[(2S)-2-Amino-3-hydroxybutyl]-2-pyrrolidinone

  • Molecular FormulaC8H16N2O2
  • Average mass172.225 Da
  • Monoisotopic mass172.121185 Da
  • ChemSpider ID21865414

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3S)-3-[(2S)-2-Amino-3-hydroxybutyl]-2-pyrrolidinon [German] [ACD/IUPAC Name]
(3S)-3-[(2S)-2-Amino-3-hydroxybutyl]-2-pyrrolidinone [ACD/IUPAC Name]
(3S)-3-[(2S)-2-Amino-3-hydroxybutyl]-2-pyrrolidinone [French] [ACD/IUPAC Name]
(3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]PYRROLIDIN-2-ONE
2-Pyrrolidinone, 3-[(2S)-2-amino-3-hydroxybutyl]-, (3S)- [ACD/Index Name]
(3S)-3-[(2S,3R)-2-amino-3-hydroxybutyl]pyrrolidin-2-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 426.3±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±6.0 kJ/mol
Flash Point: 211.6±20.4 °C
Index of Refraction: 1.504
Molar Refractivity: 45.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -2.39
ACD/LogD (pH 5.5): -4.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 18.0±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 153.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement