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Search term: MF = 'C_{16}H_{26}N_{4}O_{3}'
ChemSpider 2D Image | tert-Butyl 4-(6-ethoxypyrimidin-4-yl)-3-methylpiperazine-1-carboxylate | C16H26N4O3

tert-Butyl 4-(6-ethoxypyrimidin-4-yl)-3-methylpiperazine-1-carboxylate

  • Molecular FormulaC16H26N4O3
  • Average mass322.403 Da
  • Monoisotopic mass322.200500 Da
  • ChemSpider ID28303485

More details:

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

1353952-97-2 [RN]
1-Piperazinecarboxylic acid, 4-(6-ethoxy-4-pyrimidinyl)-3-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(6-ethoxy-4-pyrimidinyl)-3-methyl-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(6-ethoxy-4-pyrimidinyl)-3-methyl-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(6-Éthoxy-4-pyrimidinyl)-3-méthyl-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-(6-ethoxypyrimidin-4-yl)-3-methylpiperazine-1-carboxylate
4-(6-Ethoxypyrimidin-4-yl)-3-methylpiperazine-1-carboxylic acid tert-butyl ester
4-(6-Ethoxy-pyrimidin-4-yl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester
MFCD21098577 [MDL number]
tert-butyl4-(6-ethoxypyrimidin-4-yl)-3-methylpiperazine-1-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 461.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 232.8±28.7 °C
Index of Refraction: 1.519
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 4.83
ACD/KOC (pH 5.5): 56.26
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 42.30
ACD/KOC (pH 7.4): 492.59
Polar Surface Area: 68 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 43.6±3.0 dyne/cm
Molar Volume: 286.9±3.0 cm3

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