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81819-90-1

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Basic Information
CAS No.: 81819-90-1
Name: 3-AMINO-4-METHYL-6-PHENYLPYRIDAZINE
Article Data: 5
Molecular Structure:
Molecular Structure of 81819-90-1 (3-AMINO-4-METHYL-6-PHENYLPYRIDAZINE)
Formula: C11H11N3
Molecular Weight: 185.228
Synonyms: 3-Amino-4-methyl-6-phenylpyridazine;
Density: 1.159 g/cm3
Boiling Point: 393.9 °C at 760 mmHg
Flash Point: 220.6 °C
Hazard Symbols: IrritantXi
PSA: 51.80000
LogP: 2.61540
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Specification

The 3-Pyridazinamine,4-methyl-6-phenyl-, with the CAS registry number 81819-90-1, is also known as 3-Amino-4-methyl-6-phenylpyridazine. This chemical's molecular formula is C11H11N3 and molecular weight is 185.2251. What's more, its systematic name is called 4-Methyl-6-phenylpyridazin-3-amine.

Physical properties about 3-Pyridazinamine,4-methyl-6-phenyl- are: (1)ACD/LogP: 1.88; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.15; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 2.96; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 46.96; (8)ACD/KOC (pH 7.4): 238.13; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 56.08 cm3; (15)Molar Volume: 159.7 cm3; (16)Polarizability: 22.23×10-24 cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.159 g/cm3; (19)Flash Point: 220.6 °C; (20)Enthalpy of Vaporization: 64.39 kJ/mol; (21)Boiling Point: 393.9 °C at 760 mmHg; (22)Vapour Pressure: 2.05E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1nc(c(cc1c2ccccc2)C)N
(2) InChI: InChI=1/C11H11N3/c1-8-7-10(13-14-11(8)12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,14)
(3) InChIKey: JZUHYRSDTPCHRR-UHFFFAOYAN