ChemSpider 2D Image | tert-butyl 4-(3-cyano-6-cyclopropylpyridin-2-yl)piperazine-1-carboxylate | C18H24N4O2

tert-butyl 4-(3-cyano-6-cyclopropylpyridin-2-yl)piperazine-1-carboxylate

  • Molecular FormulaC18H24N4O2
  • Average mass328.409 Da
  • Monoisotopic mass328.189911 Da
  • ChemSpider ID22753602

More details:

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

1,1-Dimethylethyl 4-(3-cyano-6-cyclopropyl-2-pyridinyl)-1-piperazinecarboxylate
1135283-84-9 [RN]
1-Piperazinecarboxylic acid, 4-(3-cyano-6-cyclopropyl-2-pyridinyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(3-cyano-6-cyclopropyl-2-pyridinyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(3-cyan-6-cyclopropyl-2-pyridinyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(3-Cyano-6-cyclopropyl-2-pyridinyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-(3-cyano-6-cyclopropylpyridin-2-yl)piperazine-1-carboxylate
MFCD11841055 [MDL number]
NC-0743
tert-Butyl 4-(3-cyano-6-cyclopropyl-2-pyridinyl)tetrahydro-1(2H)-pyrazinecarboxylate
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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: 503.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 258.1±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 90.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 57.45
ACD/KOC (pH 5.5): 502.01
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 127.37
ACD/KOC (pH 7.4): 1112.95
Polar Surface Area: 69 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 268.0±5.0 cm3

Click to predict properties on the Chemicalize site


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