ChemSpider 2D Image | 5-Amino-1-Boc-3-methyl-1H-pyrazole | C9H15N3O2

5-Amino-1-Boc-3-methyl-1H-pyrazole

  • Molecular FormulaC9H15N3O2
  • Average mass197.234 Da
  • Monoisotopic mass197.116425 Da
  • ChemSpider ID28543165

More details:






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

1065204-79-6 [RN]
1H-Pyrazole-1-carboxylic acid, 5-amino-3-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-amino-3-methyl-1H-pyrazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-amino-3-methyl-1H-pyrazol-1-carboxylat [German] [ACD/IUPAC Name]
5-Amino-1-Boc-3-methyl-1H-pyrazole
5-Amino-3-méthyl-1H-pyrazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
[1065204-79-6] [RN]
5-?amino-?3-?methyl-1H-?Pyrazole-?1-?carboxylic acid?, 1,?1-?dimethylethyl ester
5-Amino-3-methyl-1H-pyrazole N1-BOC protected
5-Amino-3-methyl-1H-pyrazole, N1-BOC protected
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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: 322.7±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.5±3.0 kJ/mol
    Flash Point: 149.0±25.7 °C
    Index of Refraction: 1.541
    Molar Refractivity: 52.4±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.84
    ACD/LogD (pH 5.5): 1.10
    ACD/BCF (pH 5.5): 4.03
    ACD/KOC (pH 5.5): 94.31
    ACD/LogD (pH 7.4): 1.10
    ACD/BCF (pH 7.4): 4.03
    ACD/KOC (pH 7.4): 94.32
    Polar Surface Area: 70 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 39.2±7.0 dyne/cm
    Molar Volume: 166.9±7.0 cm3

    Click to predict properties on the Chemicalize site






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