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1H-Pyrazole-5-methanamine, N-methyl-

  • Name 1H-Pyrazole-5-methanamine, N-methyl-
  • EINECSN/A
  • CAS No. 676491-02-4
  • Density1.083 g/cm3
  • PSA40.71000
  • LogP0.52000
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC5H9N3
  • Boiling Point243.642 °C at 760 mmHg
  • Molecular Weight111.147
  • Flash Point101.151 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk Codes22
  • Molecular Structure
    Molecular Structure of 676491-02-4 (METHYL-(2H-PYRAZOL-3-YLMETHYL)-AMINE)
  • Hazard SymbolsXn
  • SynonymsXn
  • Article Data3

1H-Pyrazole-5-methanamine, N-methyl- Specification

The 1H-Pyrazole-5-methanamine, N-methyl-, with the CAS registry number 676491-02-4, is also known as Methyl(1H-pyrazol-3-ylmethyl)amine. This chemical's molecular formula is C5H9N3 and molecular weight is 111.15. What's more, its systematic name is N-methyl-1-(1H-pyrazol-5-yl)methanamine.

Physical properties of 1H-Pyrazole-5-methanamine, N-methyl- are: (1)ACD/LogP: -0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 40.71 Å2; (11)Index of Refraction: 1.534; (12)Molar Refractivity: 31.921 cm3; (13)Molar Volume: 102.613 cm3; (14)Polarizability: 12.655×10-24cm3; (15)Surface Tension: 44.873 dyne/cm; (16)Density: 1.083 g/cm3; (17)Flash Point: 101.151 °C; (18)Enthalpy of Vaporization: 48.067 kJ/mol; (19)Boiling Point: 243.642 °C at 760 mmHg; (20)Vapour Pressure: 0.032 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNCC1=CC=NN1
(2)InChI: InChI=1S/C5H9N3/c1-6-4-5-2-3-7-8-5/h2-3,6H,4H2,1H3,(H,7,8)
(3)InChIKey: FAFFFBUYETUJAQ-UHFFFAOYSA-N

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