4(3H)-Quinazolinone,5-methyl- supplier

Name
5-METHYL-4-QUINAZOLONE
EINECS
CAS No. 75844-41-6
Article Data16
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point 224℃
Formula C₉H₈N₂O
Boiling Point 330.027 °C at 760 mmHg
Molecular Weight 160.175
Flash Point 153.395 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Hydroxy-5-methylquinazoline;5-Methylquinazolin-4-ol;
PSA 45.75000
LogP 1.23150

4(3H)-Quinazolinone,5-methyl- Specification

The 4(3H)-Quinazolinone, 5-methyl-, with the CAS registry number 75844-41-6, is also known as 5-Methylquinazolin-4-ol. This chemical's molecular formula is C₉H₈N₂O and molecular weight is 160.17. What's more, its systematic name is 5-Methylquinazolin-4(1H)-one.

Physical properties about 4(3H)-Quinazolinone, 5-methyl- are: (1)ACD/LogP: 1.44; (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): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 111; (8)ACD/KOC (pH 7.4): 111; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.46 Å²; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 45.696 cm³; (15)Molar Volume: 126.167 cm³; (16)Polarizability: 18.115×10^-24 cm³; (17)Surface Tension: 46.753 dyne/cm; (18)Density: 1.27 g/cm³; (19)Flash Point: 153.395 °C; (20)Enthalpy of Vaporization: 57.257 kJ/mol; (21)Boiling Point: 330.027 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2\N=C/Nc1cccc(c12)C
(2) InChI: InChI=1/C9H8N2O/c1-6-3-2-4-7-8(6)9(12)11-5-10-7/h2-5H,1H3,(H,10,11,12)
(3) InChIKey: PXDDCBOOHGDLBL-UHFFFAOYAB

Product Name

5-METHYL-4-QUINAZOLONE

4(3H)-Quinazolinone,5-methyl- Specification

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