ChemSpider 2D Image | 2-Methyl-2-propanyl (3Z)-3-[(dimethylamino)methylene]-4-oxo-1-pyrrolidinecarboxylate | C12H20N2O3

2-Methyl-2-propanyl (3Z)-3-[(dimethylamino)methylene]-4-oxo-1-pyrrolidinecarboxylate

  • Molecular FormulaC12H20N2O3
  • Average mass240.299 Da
  • Monoisotopic mass240.147400 Da
  • ChemSpider ID26527304

  • Double-bond stereo - Double-bond stereo

More details:

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

(Z)-tert-butyl 3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylate
[905274-02-4] [RN]
157327-42-9 [RN]
2-(4-methylthiazol-2-yl)acetonitrile
3-Dimethylaminomethylene-4-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester
3-Dimethylaminomethylene-4-oxo-pyrrolidine-1-carboxylicacidtert-butylester
905274-02-4 [RN]
DS-2933
MFCD11616027 [MDL number]
MFCD13183766 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 341.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.5±3.0 kJ/mol
Flash Point: 160.1±27.9 °C
Index of Refraction: 1.561
Molar Refractivity: 66.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.11
ACD/KOC (pH 5.5): 98.73
ACD/LogD (pH 7.4): 1.48
ACD/BCF (pH 7.4): 7.86
ACD/KOC (pH 7.4): 152.02
Polar Surface Area: 50 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 204.4±3.0 cm3

Click to predict properties on the Chemicalize site


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