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| CAS No.: | 91634-12-7 |
|---|---|
| Name: | 2-VINYL-4-QUINAZOLINOL |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C10H8N2O |
| Molecular Weight: | 172.18 |
| Synonyms: | 4(1H)-Quinazolinone,2-ethenyl- (9CI);4-Quinazolinol, 2-vinyl- (7CI); |
| Density: | 1.2 g/cm3 |
| Boiling Point: | 315.4 °C at 760 mmHg |
| Flash Point: | 144.5 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 46.01000 |
| LogP: | 1.97840 |
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- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
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- 95789-13-21,3,7-trimethylpurine-2,6-dione
- 956104-42-02-Bromo-5-nitro-3-(trifluoromethyl)pyridine
- 945683-37-41-butyl-2,3-dimethylimidazolium octanesulfate
- 946052-36-41-Butyl-3-methylpyridinium methanesulfonate
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- Total:23 Page 1 of 1 1
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Specification
This chemical is called 4(3H)-Quinazolinone, 2-ethenyl-, and its systematic name is 2-ethenylquinazolin-4(1H)-one. With the molecular formula of C10H8N2O, its molecular weight is 172.18. The CAS registry number of this chemical is 91634-12-7.
Other characteristics of the 4(3H)-Quinazolinone, 2-ethenyl- can be summarised as followings: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 5.85; (6)ACD/BCF (pH 7.4): 5.85; (7)ACD/KOC (pH 5.5): 123.24; (8)ACD/KOC (pH 7.4): 123.14; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 50.3 cm3; (15)Molar Volume: 142.3 cm3; (16)Polarizability: 19.94×10-24cm3; (17)Surface Tension: 44.9 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 144.5 °C; (20)Enthalpy of Vaporization: 55.66 kJ/mol; (21)Boiling Point: 315.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000439 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2/N=C(\Nc1c2cccc1)/C=C
2.InChI: InChI=1/C10H8N2O/c1-2-9-11-8-6-4-3-5-7(8)10(13)12-9/h2-6H,1H2,(H,11,12,13)
3.InChIKey: VCHFWHQHIKFOIC-UHFFFAOYAB