Quinazoline, 4-methyl- supplier

Name
Quinazoline, 4-methyl- (6CI,7CI,8CI,9CI)
EINECS
CAS No. 700-46-9
Article Data26
CAS DataBase
Density 1.142 g/cm³
Solubility
Melting Point 36-37 °C
Formula C₉H₈N₂
Boiling Point 261.049 °C at 760 mmHg
Molecular Weight 144.176
Flash Point 115.625 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Methyl-1,3-quinazoline;NSC 48974;
PSA 25.78000
LogP 1.93820

Quinazoline, 4-methyl- 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

Product Name

Quinazoline, 4-methyl- (6CI,7CI,8CI,9CI)

Quinazoline, 4-methyl- Specification

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