ChemSpider 2D Image | Methyl 2-(4-benzyl-1-piperazinyl)-5-pyrimidinecarboxylate | C17H20N4O2

Methyl 2-(4-benzyl-1-piperazinyl)-5-pyrimidinecarboxylate

  • Molecular FormulaC17H20N4O2
  • Average mass312.366 Da
  • Monoisotopic mass312.158630 Da
  • ChemSpider ID28600175

More details:

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

2-(4-Benzyl-1-pipérazinyl)-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 2-[4-(phenylmethyl)-1-piperazinyl]-, methyl ester [ACD/Index Name]
Methyl 2-(4-benzyl-1-piperazinyl)-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-2-(4-benzyl-1-piperazinyl)-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
1133-78-4 [RN]
1133784-12-9 [RN]
5-pyrimidinecarboxylic acid,2-[4-(phenylmethyl)-1-piperazinyl]-,methyl ester
Methyl 2-(4-benzylpiperazin-1-yl)pyrimidine-5-carboxylate
METHYL-2-(4-BENZYLPIPERAZIN-1-YL)PYRIMIDINE-5-CARBOXYLATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 472.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 239.3±31.5 °C
Index of Refraction: 1.598
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 20.55
ACD/KOC (pH 5.5): 218.81
ACD/LogD (pH 7.4): 2.67
ACD/BCF (pH 7.4): 62.87
ACD/KOC (pH 7.4): 669.35
Polar Surface Area: 59 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 255.4±3.0 cm3

Click to predict properties on the Chemicalize site


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