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92681-82-8

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Basic Information
CAS No.: 92681-82-8
Name: 2-[4-(Diethylamino)phenyl]-4(1H)-quinazolinone
Molecular Structure:
Molecular Structure of 92681-82-8 (2-[4-(Diethylamino)phenyl]-4(1H)-quinazolinone)
Formula: C18H19N3O
Molecular Weight: 293.36
Synonyms: 4(1H)-Quinazolinone, 2-[4-(diethylamino)phenyl]-;
Density: 1.2±0.1 g/cm3
Boiling Point: 470.9±47.0 °C at 760 mmHg
Flash Point: 238.6±29.3 °C
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    2-[4-(Diethylamino)phenyl]-4(1H)-quinazolinone

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  • 2-[4-(Diethylamino)phenyl]-4(1H)-quinazolinone

  • Casno:

    92681-82-8

    2-[4-(Diethylamino)phenyl]-4(1H)-quinazolinone

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Specification

2-[4-(Diethylamino)phenyl]-4(1H)-quinazolinone is an organic compound with the formula C18H19N3O, and its systematic name is the same with the product name. With the CAS registry number 92681-82-8, it is also named as 4(1H)-Quinazolinone, 2-[4-(diethylamino)phenyl]-. In addition, the molecular weight is 293.36.

Physical properties of 2-[4-(Diethylamino)phenyl]-4(1H)-quinazolinone are: (1)ACD/LogP: 3.64±0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 9.32; (6)ACD/BCF (pH 7.4): 201.71; (7)ACD/KOC (pH 5.5): 61.80; (8)ACD/KOC (pH 7.4): 1336.90; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.7 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 88.4±0.5 cm3; (15)Molar Volume: 252.6±7.0 cm3; (16)Polarizability: 35.0±0.5 10-24cm3; (17)Surface Tension: 43.6±7.0 dyne/cm; (18)Density: 1.2±0.1 g/cm3; (19)Flash Point: 238.6±29.3 °C; (20)Enthalpy of Vaporization: 73.4±3.0 kJ/mol; (21)Boiling Point: 470.9±47.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±1.2 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCN(CC)c1ccc(cc1)c2[nH]c3ccccc3c(=O)n2
(2)Std. InChI: InChI=1S/C18H19N3O/c1-3-21(4-2)14-11-9-13(10-12-14)17-19-16-8-6-5-7-15(16)18(22)20-17/h5-12H,3-4H2,1-2H3,(H,19,20,22)
(3)Std. InChIKey: AGDCTQRHSRXCCI-UHFFFAOYSA-N