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1H-Pyrazole-4-carbonitrile,5-amino-1,3-dimethyl-

  • Name 1H-Pyrazole-4-carbonitrile,5-amino-1,3-dimethyl-
  • EINECSN/A
  • CAS No. 54820-92-7
  • Density1.26 g/cm3
  • PSA67.63000
  • LogP0.76358
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC6H8N4
  • Boiling Point327.3 °C at 760 mmHg
  • Molecular Weight136.156
  • Flash Point151.7 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety45
  • Risk Codes25
  • Molecular Structure
    Molecular Structure of 54820-92-7 (5-AMINO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONITRILE)
  • Hazard SymbolsT
  • SynonymsT
  • Article Data12

1H-Pyrazole-4-carbonitrile,5-amino-1,3-dimethyl- Specification

The 1H-Pyrazole-4-carbonitrile,5-amino-1,3-dimethyl-, with the CAS registry number 54820-92-7, belongs to the product categories of Pyrazole series. This chemical's molecular formula is C6H8N4 and molecular weight is 136.1545. Its systematic name is called 5-amino-1,3-dimethyl-1H-pyrazole-4-carbonitrile.

Physical properties of 1H-Pyrazole-4-carbonitrile,5-amino-1,3-dimethyl-: (1)ACD/LogP: -0.19; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.625; (6)Molar Refractivity: 38.11 cm3; (7)Molar Volume: 107.7 cm3; (8)Surface Tension: 48.4 dyne/cm; (9)Density: 1.26 g/cm3; (10)Flash Point: 151.7 °C; (11)Enthalpy of Vaporization: 56.96 kJ/mol; (12)Boiling Point: 327.3 °C at 760 mmHg; (13)Vapour Pressure: 0.000204 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(nn(c1N)C)C
(2)InChI: InChI=1/C6H8N4/c1-4-5(3-7)6(8)10(2)9-4/h8H2,1-2H3
(3)InChIKey: FZJSBIMCUGPBKX-UHFFFAOYAY

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