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| CAS No.: | 19181-54-5 |
|---|---|
| Name: | 8-METHYL-4-QUINAZOLONE |
| Molecular Structure: | |
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| Formula: | C9H8N2O |
| Molecular Weight: | 160.175 |
| Synonyms: | 4(3H)-Quinazolinone, 8-methyl- (7CI,8CI);4(1H)-Quinazolinone,8-methyl- (9CI);8-Methyl-4-quinazolone;8-Methylquinazolin-4(3H)-one;8-Methylquinazolin-4-ol;8-Methylquinazolin-4(3H)-one 98%; |
| Density: | 1.26 g/cm3 |
| Boiling Point: | 305.5 °C at 760 mmHg |
| Flash Point: | 138.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 45.75000 |
| LogP: | 1.23150 |
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Specification
This chemical is called 4(3H)-Quinazolinone,8-methyl-, and it can also be named as 8-Methyl-4-quinazolone. With the molecular formula of C9H8N2O, its molecular weight is 160.17. The CAS registry number of this chemical is 19181-54-5, and its product categories are blocks; Heterocycles; Quinolines.
Other characteristics of the 4(3H)-Quinazolinone,8-methyl- can be summarised as follows: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 5.07; (6)ACD/BCF (pH 7.4): 5.07; (7)ACD/KOC (pH 5.5): 111.19; (8)ACD/KOC (pH 7.4): 111.21; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 45.69 cm3; (15)Molar Volume: 126.1 cm3; (16)Polarizability: 18.11×10-24 cm3; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.26 g/cm3; (19)Flash Point: 138.5 °C; (20)Enthalpy of Vaporization: 54.59 kJ/mol; (21)Boiling Point: 305.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00082 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2\N=C/Nc1c(cccc12)C
2.InChI: InChI=1/C9H8N2O/c1-6-3-2-4-7-8(6)10-5-11-9(7)12/h2-5H,1H3,(H,10,11,12)
3.InChIKey: GZRXSFZDLGKFLN-UHFFFAOYAJ