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138154-39-9

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Basic Information
CAS No.: 138154-39-9
Name: C 1311
Molecular Structure:
Molecular Structure of 138154-39-9 (C 1311)
Formula: C20H22N4O2
Molecular Weight: 350.42
Synonyms: C 1311;Symadex;6H-imidazo[4,5,1-de]acridin-6-one, 5-[[2-(diethylamino)ethyl]amino]-8-hydroxy-;5-{[2-(diethylamino)ethyl]amino}-8-hydroxy-6H-imidazo[4,5,1-de]acridin-6-one;
Density: 1.32 g/cm3
Boiling Point: 605.8 °C at 760 mmHg
Flash Point: 320.2 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 69.87000
LogP: 2.97100
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    138154-39-9

    6H-Imidazo[4,5,1-de]acridin-6-one,5-[[2-(diethylamino)ethyl]amino]-8-hydroxy-

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Specification

The 5-((2-(Diethylamino)ethyl)amino)-8-hydroxy-6H-imidazo[4,5,1-de]acridin-6-one, with the cas registry number 138154-39-9, is also called 6H-imidazo[4,5,1-de]acridin-6-one, 5-[[2-(diethylamino)ethyl]amino]-8-hydroxy-. And the molecular formula of the chemical is C20H22N4O2.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 50.6 Å2; (7)Index of Refraction: 1.68; (8)Molar Refractivity: 99.87 cm3; (9)Molar Volume: 264.2 cm3; (10)Polarizability: 39.59×10-24cm3; (11)Surface Tension: 52.5 dyne/cm; (12)Density: 1.32 g/cm3; (13)Flash Point: 320.2 °C; (14)Enthalpy of Vaporization: 93.37 kJ/mol; (15)Boiling Point: 605.8 °C at 760 mmHg; (16)Vapour Pressure: 2.86E-15 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C2c1c(ccc(O)c1)n3c4c2c(NCCN(CC)CC)ccc4nc3
(2)InChI: InChI=1/C20H22N4O2/c1-3-23(4-2)10-9-21-15-6-7-16-19-18(15)20(26)14-11-13(25)5-8-17(14)24(19)12-22-16/h5-8,11-12,21,25H,3-4,9-10H2,1-2H3
(3)InChIKey: CUNDRHORZHFPLY-UHFFFAOYAH