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CAS No.: | 3656-02-8 |
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Name: | 3,5-Diamino-4-phenylazopyrazole |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C9H10N6 |
Molecular Weight: | 202.219 |
Synonyms: | 3,5-Diamino-4-phenylazopyrazole;4-[(E)-Phenyldiazenyl]-1H-pyrazole-3,5-diamine;4-Phenylazo-1H-pyrazole-3,5-diamine;Pyrazole-3,5-diamine, 4-phenylazo-; |
Density: | 1.522 g/cm3 |
Boiling Point: | 535.039 °C at 760 mmHg |
Flash Point: | 277.382 °C |
PSA: | 105.44000 |
LogP: | 3.15190 |
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The 1H-Pyrazole-3,5-diamine,4-(2-phenyldiazenyl)-, with the CAS registry number 3656-02-8, is also known as 3,5-Diamino-4-phenylazopyrazole. This chemical's molecular formula is C9H10N6 and molecular weight is 202.22. What's more, its systematic name is 4-[(E)-phenyldiazenyl]-1H-pyrazole-3,5-diamine.
Physical properties of 1H-Pyrazole-3,5-diamine,4-(2-phenyldiazenyl)- are: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9; (8)ACD/KOC (pH 7.4): 9; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 105.44 Å2; (13)Index of Refraction: 1.765; (14)Molar Refractivity: 54.968 cm3; (15)Molar Volume: 132.878 cm3; (16)Polarizability: 21.791×10-24cm3; (17)Surface Tension: 70.926 dyne/cm; (18)Density: 1.522 g/cm3; (19)Flash Point: 277.382 °C; (20)Enthalpy of Vaporization: 81.14 kJ/mol; (21)Boiling Point: 535.039 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc2nnc(N)c2/N=N/c1ccccc1
(2)Std. InChI: InChI=1S/C9H10N6/c10-8-7(9(11)15-14-8)13-12-6-4-2-1-3-5-6/h1-5H,(H5,10,11,14,15)/b13-12+
(3)Std. InChIKey: BLXRKDXUWQFGAW-OUKQBFOZSA-N