CAS No.5346-56-5,5-AMINO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5346-56-5
Name:	5-AMINO-3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBONITRILE
Article Data:	19

Formula:	C₁₁H₁₀N₄
Molecular Weight:	198.227
Synonyms:	Pyrazole-4-carbonitrile,5-amino-3-methyl-1-phenyl- (6CI);5-Amino-4-cyano-3-methyl-1-phenylpyrazole;NSC 1638;NSC 221277;
Density:	1.23g/cm³
Melting Point:	129 °C
Boiling Point:	408.2 °C at 760 mmHg
Flash Point:	200.7 °C
PSA:	67.63000
LogP:	2.21578

Total:20 Page 1 of 1 1

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Specification

The 1H-Pyrazole-4-carbonitrile,5-amino-3-methyl-1-phenyl-, with CAS registry number 5346-56-5, belongs to the following product categories: (1)Azoles; (2)Blocks; (3)Carboxes. It has the systematic name of 5-amino-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile. And the chemical formula of this chemical is C₁₁H₁₀N₄. When use this chemical, avoid contact with skin and eyes.

Physical properties of 1H-Pyrazole-4-carbonitrile,5-amino-3-methyl-1-phenyl-: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 44.85 Å²; (7)Index of Refraction: 1.651; (8)Molar Refractivity: 58.79 cm³; (9)Molar Volume: 160.8 cm³; (10)Polarizability: 23.3×10^-24cm³; (11)Surface Tension: 51.1 dyne/cm; (12)Density: 1.23 g/cm³; (13)Flash Point: 200.7 °C; (14)Enthalpy of Vaporization: 66.02 kJ/mol; (15)Boiling Point: 408.2 °C at 760 mmHg; (16)Vapour Pressure: 7.14E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2c(nn(c1ccccc1)c2N)C
(2)InChI: InChI=1/C11H10N4/c1-8-10(7-12)11(13)15(14-8)9-5-3-2-4-6-9/h2-6H,13H2,1H3
(3)InChIKey: VWOYPUVIGCTVSC-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H10N4/c1-8-10(7-12)11(13)15(14-8)9-5-3-2-4-6-9/h2-6H,13H2,1H3
(5)Std. InChIKey: VWOYPUVIGCTVSC-UHFFFAOYSA-N