ChemSpider 2D Image | 3-(1,3-Benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine | C11H11N3O2

3-(1,3-Benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine

  • Molecular FormulaC11H11N3O2
  • Average mass217.224 Da
  • Monoisotopic mass217.085129 Da
  • ChemSpider ID26325964

More details:

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

1H-Pyrazol-5-amine, 3-(1,3-benzodioxol-5-yl)-1-methyl- [ACD/Index Name]
3-(1,3-Benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amin [German] [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine [ACD/IUPAC Name]
3-(1,3-Benzodioxol-5-yl)-1-méthyl-1H-pyrazol-5-amine [French] [ACD/IUPAC Name]
1152708-95-6 [RN]
3-(1,3-dioxaindan-5-yl)-1-methyl-1H-pyrazol-5-amine
3-(2H-1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazol-5-amine
MFCD11209701

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

833 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 430.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.3±28.7 °C
Index of Refraction: 1.695
Molar Refractivity: 57.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.55
ACD/KOC (pH 5.5): 118.29
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.62
ACD/KOC (pH 7.4): 119.76
Polar Surface Area: 62 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 148.6±7.0 cm3

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