-
Name
2(1H)-QUINAZOLINONE, 1-(1-METHYLETHYL)-4-[4-(1-METHYLETHYL)PHENYL]-6-(2-PROPYN-1-YLAMINO)-
- EINECS
- CAS No. 478963-46-1
- Article Data1
- CAS DataBase
- Density 1.08 g/cm3
- Solubility
- Melting Point
- Formula C23H25N3O
- Boiling Point 534.2 °C at 760 mmHg
- Molecular Weight 359.471
- Flash Point 276.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 1-Isopropyl-4-(4-isopropylphenyl)-6-(prop-2-in-1-ylamino)chinazolin-2(1H)-on;
- PSA 46.92000
- LogP 4.88590
1-(1-Methylethyl)-4-[4-(1-methylethyl)phenyl]-6-(2-propyn-1-ylamino)-2(1H)-quinazolinone Specification
The 1-(1-Methylethyl)-4-[4-(1-methylethyl)phenyl]-6-(2-propyn-1-ylamino)-2(1H)-quinazolinone with the CAS number 478963-46-1 is also called 1-Isopropyl-4-(4-isopropylphenyl)-6-(prop-2-in-1-ylamino)chinazolin-2(1H)-on. Its molecular formula is C23H25N3O. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 1-(1-Methylethyl)-4-[4-(1-methylethyl)phenyl]-6-(2-propyn-1-ylamino)-2(1H)-quinazolinone are: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 3.52; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 44.7 Å2; (9)Index of Refraction: 1.586; (10)Molar Refractivity: 110.88 cm3; (11)Molar Volume: 330.3 cm3; (12)Polarizability: 43.96×10-24cm3; (13)Surface Tension: 37.9 dyne/cm; (14)Enthalpy of Vaporization: 81.03 kJ/mol; (15)Vapour Pressure: 1.73×10-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1ccc(cc1)c2c3cc(ccc3n(c(=O)n2)C(C)C)NCC#C
(2)InChI: InChI=1/C23H25N3O/c1-6-13-24-19-11-12-21-20(14-19)22(25-23(27)26(21)16(4)5)18-9-7-17(8-10-18)15(2)3/h1,7-12,14-16,24H,13H2,2-5H3
(3)InChIKey: QWJVHLKUOSQDLL-UHFFFAOYAO
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