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54820-92-7

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Basic Information
CAS No.: 54820-92-7
Name: 5-AMINO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONITRILE
Article Data: 12
Molecular Structure:
Molecular Structure of 54820-92-7 (5-AMINO-1,3-DIMETHYL-1H-PYRAZOLE-4-CARBONITRILE)
Formula: C6H8N4
Molecular Weight: 136.156
Synonyms: Pyrazole-4-carbonitrile,5-amino-1,3-dimethyl- (6CI);1,3-Dimethyl-5-amino-4-cyanopyrazole;5-Amino-1,3-dimethyl-1H-pyrazole-4-carbonitrile;5-Amino-1,3-dimethyl-4-pyrazolecarbonitrile;5-Amino-4-cyano-1,3-dimethylpyrazole;NSC 1650;NSC 221276;
Density: 1.26 g/cm3
Boiling Point: 327.3 °C at 760 mmHg
Flash Point: 151.7 °C
Hazard Symbols: T
Risk Codes: 25
Safety: 45
PSA: 67.63000
LogP: 0.76358
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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