ChemSpider 2D Image | 1,1-Dimethylethyl 4-(2-amino-4-pyrimidinyl)-1-piperazinecarboxylate | C13H21N5O2

1,1-Dimethylethyl 4-(2-amino-4-pyrimidinyl)-1-piperazinecarboxylate

  • Molecular FormulaC13H21N5O2
  • Average mass279.338 Da
  • Monoisotopic mass279.169525 Da
  • ChemSpider ID28466830

More details:

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

1,1-Dimethylethyl 4-(2-amino-4-pyrimidinyl)-1-piperazinecarboxylate
1041054-20-9 [RN]
1-Piperazinecarboxylic acid, 4-(2-amino-4-pyrimidinyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(2-amino-4-pyrimidinyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(2-amino-4-pyrimidinyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(2-Amino-4-pyrimidinyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
MFCD21604775
tert-butyl 4-(2-aminopyrimidin-4-yl)piperazine-1-carboxylate
tert-butyl-4-(2-aminopyrimidin-4-yl)piperazine-1-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: 475.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 241.0±31.5 °C
Index of Refraction: 1.572
Molar Refractivity: 75.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.18
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.03
Polar Surface Area: 85 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 228.7±3.0 cm3

Click to predict properties on the Chemicalize site


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