ChemSpider 2D Image | (1S,3S)-2,2-Dimethyl-3-[(4-methyl-1-piperazinyl)carbonyl]cyclopropanecarboxylic acid | C12H20N2O3

(1S,3S)-2,2-Dimethyl-3-[(4-methyl-1-piperazinyl)carbonyl]cyclopropanecarboxylic acid

  • Molecular FormulaC12H20N2O3
  • Average mass240.299 Da
  • Monoisotopic mass240.147400 Da
  • ChemSpider ID110450721

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3S)-2,2-Dimethyl-3-[(4-methyl-1-piperazinyl)carbonyl]cyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1S,3S)-2,2-Dimethyl-3-[(4-methyl-1-piperazinyl)carbonyl]cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,3S)-2,2-diméthyl-3-[(4-méthyl-1-pipérazinyl)carbonyl]cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-[(4-methyl-1-piperazinyl)carbonyl]-, (1S,3S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 408.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.5±6.0 kJ/mol
Flash Point: 201.0±28.7 °C
Index of Refraction: 1.534
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.12
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 61 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 199.8±3.0 cm3

Click to predict properties on the Chemicalize site


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