ChemSpider 2D Image | tert-Butyl 4-(5-chloropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate | C14H21ClN4O2

tert-Butyl 4-(5-chloropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate

  • Molecular FormulaC14H21ClN4O2
  • Average mass312.795 Da
  • Monoisotopic mass312.135315 Da
  • ChemSpider ID27457946

More details:

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

1261232-44-3 [RN]
1-Piperazinecarboxylic acid, 4-(5-chloro-2-pyrimidinyl)-2-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(5-chloro-2-pyrimidinyl)-2-methyl-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(5-chlor-2-pyrimidinyl)-2-methyl-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(5-Chloro-2-pyrimidinyl)-2-méthyl-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-(5-chloropyrimidin-2-yl)-2-methylpiperazine-1-carboxylate
4-(5-Chloropyrimidin-2-yl)-2-methylpiperazine-1-carboxylic acid tert-butyl ester
4-(5-Chloro-pyrimidin-2-yl)-2-methylpiperazine-1-carboxylic acid tert-butyl ester
4-(5-Chloro-pyrimidin-2-yl)-2-methyl-piperazine-1-carboxylic acid tert-butyl ester
MFCD18380218
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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: 439.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.3±31.5 °C
Index of Refraction: 1.537
Molar Refractivity: 80.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 151.87
ACD/KOC (pH 5.5): 1263.77
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 153.61
ACD/KOC (pH 7.4): 1278.27
Polar Surface Area: 59 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 258.3±3.0 cm3

Click to predict properties on the Chemicalize site


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