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| CAS No.: | 7432-25-9 |
|---|---|
| Name: | Etaqualone |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C17H16N2O |
| Molecular Weight: | 264.327 |
| Synonyms: | 4 (3H)-Quinazolinone, 3-(2-ethylphenyl)-2-methyl-;Etaqualone [INN];3-(2-ethylphenyl)-2-methyl-quinazolin-4-one;3-(o-Ethylphenyl)-2-methyl-4(3H)-quinazolinone;Ethinazone;4(3H)-Quinazolinone,3-(2-ethylphenyl)-2- methyl-;4 (3H)-Quinazolinone, 3-(o-ethylphenyl)-2-methyl-;4(3H)-Quinazolinone, 3-(2-ethylphenyl)-2-methyl- (9CI);Etaqualonum [INN-Latin];3-(o-Ethylphenyl)-2-methylquinazolin-4(3H)-one;Athinazone;Aolan;Etacualona [INN-Spanish]; |
| Density: | 1.14 g/cm3 |
| Melting Point: | 81 °C |
| Boiling Point: | 421.1 °C at 760 mmHg |
| Flash Point: | 208.5 °C |
| PSA: | 34.89000 |
| LogP: | 3.25650 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
The IUPAC name of Etaqualone is 3-(2-ethylphenyl)-2-methylquinazolin-4-one. With the CAS registry number 7432-25-9, it is also named as 3-(o-Ethylphenyl)-2-methylquinazolin-4(3H)-one. It has sedative and hypnotic properties, and was used for the treatment of insomnia. In addition, its molecular formula is C17H16N2O and molecular weight is 264.32174.
Physical properties about Etaqualone are: (1)ACD/LogP: 3.009; (2)ACD/LogD (pH 5.5): 3.01; (3)ACD/LogD (pH 7.4): 3.01; (4)ACD/BCF (pH 5.5): 113.76; (5)ACD/BCF (pH 7.4): 114.08; (6)ACD/KOC (pH 5.5): 1030.24; (7)ACD/KOC (pH 7.4): 1033.11; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.614; (11)Molar Refractivity: 80.736 cm3; (12)Molar Volume: 231.789 cm3; (13)Polarizability: 32.006 10-24cm3; (14)Surface Tension: 42.2210006713867 dyne/cm; (15)Density: 1.14 g/cm3; (16)Flash Point: 208.48 °C; (17)Enthalpy of Vaporization: 67.507 kJ/mol; (18)Boiling Point: 421.109 °C at 760 mmHg
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C
(2)InChI: InChI=1S/C17H16N2O/c1-3-13-8-4-7-11-16(13)19-12(2)18-15-10-6-5-9-14(15)17(19)20/h4-11H,3H2,1-2H3
(3)InChIKey: UVTJKLLUVOTSOB-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 320mg/kg (320mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03782, |