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86427-78-3

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Basic Information
CAS No.: 86427-78-3
Name: (4-PHENYL-PHTHALAZIN-1-YL)-HYDRAZINE
Article Data: 3
Molecular Structure:
Molecular Structure of 86427-78-3 ((4-PHENYL-PHTHALAZIN-1-YL)-HYDRAZINE)
Formula: C14H12N4
Molecular Weight: 236.276
Synonyms: 1(2H)-Phthalazinone,4-phenyl-, hydrazone (9CI);Phthalazine, 1-hydrazino-4-phenyl- (6CI);1-Hydrazino-4-phenylphthalazine;4-Phenyl-1-phthalazinylhydrazine;NSC 116344;
Density: 1.298 g/cm3
Boiling Point: 537.4 °C at 760 mmHg
Flash Point: 278.8 °C
PSA: 63.83000
LogP: 3.35570
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Specification

The Phthalazine, 1-hydrazinyl-4-phenyl-, with the CAS registry number of 86427-78-3, is also known as 1-Hydrazino-4-phenylphthalazine and (4-Phenyl-phthalazin-1-yl)-hydrazine. This chemical's molecular formula is C14H12N4 and molecular weight is 236.27. What's more, its systematic name is called 1-Hydrazinyl-4-phenylphthalazine.

Physical properties about Phthalazine, 1-hydrazinyl-4-phenyl- are: (1)ACD/LogP: 3.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.94; (4)ACD/LogD (pH 7.4): 3.19; (5)ACD/BCF (pH 5.5): 88.35; (6)ACD/BCF (pH 7.4): 155.06; (7)ACD/KOC (pH 5.5): 731.27; (8)ACD/KOC (pH 7.4): 1283.42; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.26 Å2; (13)Index of Refraction: 1.74; (14)Molar Refractivity: 73.38 cm3; (15)Molar Volume: 181.9 cm3; (16)Polarizability: 29.09×10-24 cm3; (17)Surface Tension: 67.2 dyne/cm; (18)Density: 1.298 g/cm3; (19)Flash Point: 278.8 °C; (20)Enthalpy of Vaporization: 81.44 kJ/mol; (21)Boiling Point: 537.4 °C at 760 mmHg; (22)Vapour Pressure: 1.27E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2nc(c1ccccc1c2c3ccccc3)NN
(2) InChI: InChI=1/C14H12N4/c15-16-14-12-9-5-4-8-11(12)13(17-18-14)10-6-2-1-3-7-10/h1-9H,15H2,(H,16,18)
(3) InChIKey: OZXCKWJNGZVAAJ-UHFFFAOYAQ