Name: 3-amino-1-phenyl-4,5-dihydropyrazolin-5-one
SKU: 28710-97-6

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Basic Information

Molecular Structure:
CAS No.:	28710-97-6
Name:	3-amino-1-phenyl-4,5-dihydropyrazolin-5-one

Formula:	C₉H₉N₃O
Molecular Weight:	175.19
Synonyms:	3-Pyrazolin-5-one,3-amino-1-phenyl- (8CI);1-Phenyl-3-aminopyrazol-5-one;NSC 266160;
EINECS:	249-175-7
Density:	1.294 g/cm³
Boiling Point:	297.6 °C at 760 mmHg
Flash Point:	133.8 °C
PSA:	63.81000
LogP:	1.32900

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Specification

The 3H-Pyrazol-3-one, 5-amino-1, 2-dihydro-2-phenyl-, with the CAS registry number 28710-97-6, is also known as 5-Pyrazolone, 3-amino-1-phenyl-. Its EINECS registry number is 249-175-7. This chemical's molecular formula is C₉H₉N₃O and molecular weight is 175.18726. What's more, its IUPAC name is 5-Amino-2-phenyl-1H-pyrazol-3-one.

Physical properties about 3H-Pyrazol-3-one, 5-amino-1, 2-dihydro-2-phenyl- are: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): 0.46; (5)ACD/BCF (pH 5.5): 1.31; (6)ACD/BCF (pH 7.4): 1.31; (7)ACD/KOC (pH 5.5): 42.15; (8)ACD/KOC (pH 7.4): 42.21; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.79 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 48.47 cm³; (15)Molar Volume: 135.3 cm³; (16)Polarizability: 19.21×10^-24 cm³; (17)Surface Tension: 54.4 dyne/cm; (18)Density: 1.294 g/cm³; (19)Flash Point: 133.8 °C; (20)Enthalpy of Vaporization: 53.75 kJ/mol; (21)Boiling Point: 297.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00133 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2/C=C(/N)NN2c1ccccc1
(2) InChI: InChI=1/C9H9N3O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-6,11H,10H2
(3) InChIKey: PVKNQGWSRAGMNM-UHFFFAOYAS