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| CAS No.: | 700-46-9 |
|---|---|
| Name: | Quinazoline, 4-methyl- (6CI,7CI,8CI,9CI) |
| Molecular Structure: | |
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| Formula: | C9H8N2 |
| Molecular Weight: | 144.176 |
| Synonyms: | 4-Methyl-1,3-quinazoline;NSC 48974; |
| Density: | 1.142 g/cm3 |
| Melting Point: | 36-37 °C |
| Boiling Point: | 261.049 °C at 760 mmHg |
| Flash Point: | 115.625 °C |
| PSA: | 25.78000 |
| LogP: | 1.93820 |
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- Total:34 Page 1 of 1 1
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Specification
The Quinazoline, 4-methyl-, with the CAS registry number 700-46-9, is also known as 4-Methyl-quinazoline. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C9H8N2 and molecular weight is 144.17. What's more, both its IUPAC name and systematic name are the same which is called 4-Methylquinazoline.
Physical properties about Quinazoline, 4-methyl- are: (1)ACD/LogP: 1.291; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.29; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.63; (6)ACD/BCF (pH 7.4): 5.64; (7)ACD/KOC (pH 5.5): 119.80; (8)ACD/KOC (pH 7.4): 120.04; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 45.103 cm3; (15)Molar Volume: 126.272 cm3; (16)Polarizability: 17.88×10-24cm3; (17)Surface Tension: 50.762 dyne/cm; (18)Density: 1.142 g/cm3; (19)Flash Point: 115.625 °C; (20)Enthalpy of Vaporization: 47.864 kJ/mol; (21)Boiling Point: 261.049 °C at 760 mmHg; (22)Vapour Pressure: 0.019 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n2c1c(cccc1)c(nc2)C
(2) InChI: InChI=1S/C9H8N2/c1-7-8-4-2-3-5-9(8)11-6-10-7/h2-6H,1H3
(3) InChIKey: JWEOEZZCZCCPJL-UHFFFAOYSA-N