ChemSpider 2D Image | 1-(3-Oxetanyl)-1H-pyrazol-4-amine | C6H9N3O

1-(3-Oxetanyl)-1H-pyrazol-4-amine

  • Molecular FormulaC6H9N3O
  • Average mass139.155 Da
  • Monoisotopic mass139.074554 Da
  • ChemSpider ID28467483

More details:






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

1-(3-Oxetanyl)-1H-pyrazol-4-amin [German] [ACD/IUPAC Name]
1-(3-Oxetanyl)-1H-pyrazol-4-amine [ACD/IUPAC Name]
1-(3-Oxétanyl)-1H-pyrazol-4-amine [French] [ACD/IUPAC Name]
1H-Pyrazol-4-amine, 1-(3-oxetanyl)- [ACD/Index Name]
1-(oxetan-3-yl)-1H-pyrazol-4-amine
1338719-26-8 [RN]
MFCD21848218 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 339.0±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 158.8±25.1 °C
Index of Refraction: 1.709
Molar Refractivity: 35.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.29
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.94
ACD/LogD (pH 7.4): -0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.17
Polar Surface Area: 53 Å2
Polarizability: 14.0±0.5 10-24cm3
Surface Tension: 64.1±7.0 dyne/cm
Molar Volume: 90.7±7.0 cm3

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