4(3H)-Quinazolinone, 2-ethyl-3-(1-methylethyl)- supplier

Name
2-ethyl-3-propan-2-yl-quinazolin-4-one
EINECS
CAS No. 49739-17-5
Density 1.1 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆N₂O
Boiling Point 338.3 °C at 760 mmHg
Molecular Weight 216.283
Flash Point 158.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC319865;2-Ethyl-3-propan-2-ylquinazolin-4-one;
PSA 34.89000
LogP 2.53980

4(3H)-Quinazolinone, 2-ethyl-3-(1-methylethyl)- Specification

The 4(3H)-Quinazolinone, 2-ethyl-3-(1-methylethyl)-, with the CAS registry number 49739-17-5, is also known as 2-Ethyl-3-(propan-2-yl)quinazolin-4(3H)-one. This chemical's molecular formula is C₁₃H₁₆N₂O and molecular weight is 216.2789. What's more, its IUPAC name is called 2-Ethyl-3-propan-2-ylquinazolin-4-one.

Physical properties about 4(3H)-Quinazolinone, 2-ethyl-3-(1-methylethyl)- are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 32.67 Å²; (7)Index of Refraction: 1.577; (8)Molar Refractivity: 64.66 cm³; (9)Molar Volume: 195 cm³; (10)Surface Tension: 37.8 dyne/cm; (11)Density: 1.1 g/cm³; (12)Flash Point: 158.4 °C; (13)Enthalpy of Vaporization: 58.17 kJ/mol; (14)Boiling Point: 338.3 °C at 760 mmHg; (15)Vapour Pressure: 9.88E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1c2c(\N=C(/N1C(C)C)CC)cccc2
(2) InChI: InChI=1/C13H16N2O/c1-4-12-14-11-8-6-5-7-10(11)13(16)15(12)9(2)3/h5-9H,4H2,1-3H3
(3) InChIKey: LLTACGVUKRPIFV-UHFFFAOYAZ

Product Name

2-ethyl-3-propan-2-yl-quinazolin-4-one

4(3H)-Quinazolinone, 2-ethyl-3-(1-methylethyl)- Specification

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