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Cas Database |
| Name |
3-Pyridazinamine,6-(4-methoxyphenyl)- |
EINECS | N/A |
| CAS No. | 4776-87-8 | Density | 1.202 g/cm3 |
| PSA | 61.03000 | LogP | 2.31560 |
| Solubility | N/A | Melting Point |
180 °C(Solv: water (7732-18-5)) |
| Formula | C11H11N3O | Boiling Point | 432.957 °C at 760 mmHg |
| Molecular Weight | 201.228 | Flash Point | 215.645 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
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| Synonyms |
3-Amino-6-(4-methoxyphenyl)pyridazine; |
Article Data | 11 |
3-Pyridazinamine,6-(4-methoxyphenyl)- 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: 22.97×10-24 cm3; (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
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