ChemSpider 2D Image | tert-butyl N-[(1H-pyrazol-4-yl)methyl]carbamate | C9H15N3O2

tert-butyl N-[(1H-pyrazol-4-yl)methyl]carbamate

  • Molecular FormulaC9H15N3O2
  • Average mass197.234 Da
  • Monoisotopic mass197.116425 Da
  • ChemSpider ID25997457

More details:

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

(1H-Pyrazol-4-ylméthyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1107620-72-3 [RN]
2-Methyl-2-propanyl (1H-pyrazol-4-ylmethyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1H-pyrazol-4-ylmethyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(1H-pyrazol-4-ylmethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl N-[(1H-pyrazol-4-yl)methyl]carbamate
[1107620-72-3] [RN]
1251033-82-5 [RN]
4-(BOC-AMINOMETHYL)PYRAZOLE
MFCD12820298 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 382.9±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.1±3.0 kJ/mol
    Flash Point: 185.4±23.2 °C
    Index of Refraction: 1.518
    Molar Refractivity: 52.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.99
    ACD/LogD (pH 5.5): 1.24
    ACD/BCF (pH 5.5): 5.14
    ACD/KOC (pH 5.5): 112.25
    ACD/LogD (pH 7.4): 1.24
    ACD/BCF (pH 7.4): 5.15
    ACD/KOC (pH 7.4): 112.46
    Polar Surface Area: 67 Å2
    Polarizability: 20.7±0.5 10-24cm3
    Surface Tension: 44.4±3.0 dyne/cm
    Molar Volume: 172.2±3.0 cm3

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