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