5-((2-(Diethylamino)ethyl)amino)-8-hydroxy-6H-imidazo[4,5,1-de]acridin-6-one supplier

Name
C 1311
EINECS
CAS No. 138154-39-9
Density 1.32 g/cm³
Solubility
Melting Point
Formula C₂₀H₂₂N₄O₂
Boiling Point 605.8 °C at 760 mmHg
Molecular Weight 350.42
Flash Point 320.2 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
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;
PSA 69.87000
LogP 2.97100

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

Product Name

C 1311

5-((2-(Diethylamino)ethyl)amino)-8-hydroxy-6H-imidazo[4,5,1-de]acridin-6-one Specification

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