ChemSpider 2D Image | tert-butyl 5-amino-3-methyl-1H-indazole-1-carboxylate | C13H17N3O2

tert-butyl 5-amino-3-methyl-1H-indazole-1-carboxylate

  • Molecular FormulaC13H17N3O2
  • Average mass247.293 Da
  • Monoisotopic mass247.132080 Da
  • ChemSpider ID29363477

More details:






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

1H-Indazole-1-carboxylic acid, 5-amino-3-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-amino-3-methyl-1H-indazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-amino-3-methyl-1H-indazol-1-carboxylat [German] [ACD/IUPAC Name]
599183-32-1 [RN]
5-Amino-3-méthyl-1H-indazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 5-amino-3-methyl-1H-indazole-1-carboxylate
1h-indazole-1-carboxylic acid,5-amino-3-methyl-,1,1-dimethylethyl ester
MFCD13183005
min. 95%
N-Boc-5-amino-3-methylindazole
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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: 410.1±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.2±3.0 kJ/mol
    Flash Point: 201.8±26.5 °C
    Index of Refraction: 1.589
    Molar Refractivity: 68.3±0.5 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.28
    ACD/LogD (pH 5.5): 2.17
    ACD/BCF (pH 5.5): 26.26
    ACD/KOC (pH 5.5): 360.38
    ACD/LogD (pH 7.4): 2.17
    ACD/BCF (pH 7.4): 26.44
    ACD/KOC (pH 7.4): 362.79
    Polar Surface Area: 70 Å2
    Polarizability: 27.1±0.5 10-24cm3
    Surface Tension: 42.3±7.0 dyne/cm
    Molar Volume: 202.8±7.0 cm3

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