CAS No.4776-87-8,3-AMINO-6-(4-METHOXYPHENYL)PYRIDAZINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4776-87-8
Name:	3-AMINO-6-(4-METHOXYPHENYL)PYRIDAZINE
Article Data:	11

Formula:	C₁₁H₁₁N₃O
Molecular Weight:	201.228
Synonyms:	3-Amino-6-(4-methoxyphenyl)pyridazine;
Density:	1.202 g/cm³
Melting Point:	180 °C(Solv: water (7732-18-5))
Boiling Point:	432.957 °C at 760 mmHg
Flash Point:	215.645 °C
Hazard Symbols:	Xi
PSA:	61.03000
LogP:	2.31560

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Specification

The 3-Pyridazinamine,6-(4-methoxyphenyl)-, with the CAS registry number 4776-87-8, is also known as 3-Amino-6-(4-methoxyphenyl)pyridazine. This chemical's molecular formula is C₁₁H₁₁N₃O and molecular weight is 201.2245. What's more, its systematic name is called 6-(4-Methoxyphenyl)pyridazin-3-amine.

Physical properties about 3-Pyridazinamine,6-(4-methoxyphenyl)- are: (1)ACD/LogP: 1.54; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 37; (8)ACD/KOC (pH 7.4): 109; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.03 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 57.942 cm³; (15)Molar Volume: 167.448 cm³; (16)Polarizability: 22.97×10^-24cm³; (17)Surface Tension: 52.825 dyne/cm; (18)Density: 1.202 g/cm³; (19)Flash Point: 215.645 °C; (20)Enthalpy of Vaporization: 68.883 kJ/mol; (21)Boiling Point: 432.957 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc(cc1)c2ccc(N)nn2
(2) InChI: InChI=1/C11H11N3O/c1-15-9-4-2-8(3-5-9)10-6-7-11(12)14-13-10/h2-7H,1H3,(H2,12,14)
(3) InChIKey: PCPMUYYPWJFHEQ-UHFFFAOYAT