ChemSpider 2D Image | 2-Methyl-2-propanyl 4-amino-3-methyl-1H-pyrazole-1-carboxylate | C9H15N3O2

2-Methyl-2-propanyl 4-amino-3-methyl-1H-pyrazole-1-carboxylate

  • Molecular FormulaC9H15N3O2
  • Average mass197.234 Da
  • Monoisotopic mass197.116425 Da
  • ChemSpider ID29339926

More details:

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

1H-Pyrazole-1-carboxylic acid, 4-amino-3-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-amino-3-methyl-1H-pyrazole-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-amino-3-methyl-1H-pyrazol-1-carboxylat [German] [ACD/IUPAC Name]
4-Amino-3-méthyl-1H-pyrazole-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
4-amino-3-methyl-pyrazole-1-carboxylic acid tert-butyl ester
4-Amino-3-methylpyrazole-1-carboxylic acid tert-butyl ester
847139-23-5 [RN]
MFCD23115361 [MDL number]

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-39613]
    • Safety:

      20/21/22 Novochemy [NC-39613]
      20/21/36/37/39 Novochemy [NC-39613]
      GHS07; GHS09 Novochemy [NC-39613]
      H332; H403 Novochemy [NC-39613]
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-39613]
      R52/53 Novochemy [NC-39613]
      Warning Novochemy [NC-39613]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 320.5±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.2±3.0 kJ/mol
Flash Point: 147.7±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): 4.02
ACD/KOC (pH 5.5): 94.27
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

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