ChemSpider 2D Image | 1-[(2S)-1-Methyl-2-pyrrolidinyl]-2-(3,3,3-~2~H_3_)propanone | C8H12D3NO

1-[(2S)-1-Methyl-2-pyrrolidinyl]-2-(3,3,3-2H3)propanone

  • Molecular FormulaC8H12D3NO
  • Average mass144.229 Da
  • Monoisotopic mass144.134201 Da
  • ChemSpider ID78076094

  • 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

1-[(2S)-1-Methyl-2-pyrrolidinyl]-2-(3,3,3-2H3)propanon [German] [ACD/IUPAC Name]
1-[(2S)-1-Methyl-2-pyrrolidinyl]-2-(3,3,3-2H3)propanone [ACD/IUPAC Name]
1-[(2S)-1-Méthyl-2-pyrrolidinyl]-2-(3,3,3-2H3)propanone [French] [ACD/IUPAC Name]
2-Propanone-1,1,1-d3, 3-[(2S)-1-methyl-2-pyrrolidinyl]- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 194.0±13.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.0±3.0 kJ/mol
Flash Point: 59.2±9.2 °C
Index of Refraction: 1.452
Molar Refractivity: 40.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): -2.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 20 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 29.0±3.0 dyne/cm
Molar Volume: 151.0±3.0 cm3

Click to predict properties on the Chemicalize site


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