ChemSpider 2D Image | tert-Butyl 4-(4-aminopyrimidin-2-yl)piperazine-1-carboxylate | C13H21N5O2

tert-Butyl 4-(4-aminopyrimidin-2-yl)piperazine-1-carboxylate

  • Molecular FormulaC13H21N5O2
  • Average mass279.338 Da
  • Monoisotopic mass279.169525 Da
  • ChemSpider ID24597939

More details:






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

1041054-18-5 [RN]
1-Piperazinecarboxylic acid, 4-(4-amino-2-pyrimidinyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-(4-amino-2-pyrimidinyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-(4-amino-2-pyrimidinyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-(4-Amino-2-pyrimidinyl)-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl 4-(4-aminopyrimidin-2-yl)piperazine-1-carboxylate
[1041054-18-5] [RN]
1-Boc-4-(4-Aminopyrimidin-2-yl)piperazine
4-(4-AMINOPYRIMIDIN-2-YL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
BR-22215
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 467.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.0±3.0 kJ/mol
    Flash Point: 236.7±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: 1.78
    ACD/LogD (pH 5.5): -0.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.11
    ACD/LogD (pH 7.4): 0.83
    ACD/BCF (pH 7.4): 1.38
    ACD/KOC (pH 7.4): 21.51
    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

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