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9H-Imidazo(1,2-A)benzimidazole, 9-(2-(diethylamino)ethyl)-2-phenyl-, dinitrate

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Name

9H-Imidazo(1,2-A)benzimidazole, 9-(2-(diethylamino)ethyl)-2-phenyl-, dinitrate

EINECS N/A
CAS No. 72025-10-6 Density N/A
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C21H26N6O6 Boiling Point 478.7 °C at 760 mmHg
Molecular Weight 458.47 Flash Point 243.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 72025-10-6 (N,N-diethyl-2-(2-phenyl-9H-imidazo[1,2-a]benzimidazol-9-yl)ethanamine dinitrate) Hazard Symbols N/A
Synonyms

2-Phenyl-9-diethylaminoethylimidazo(1,2-a)benzimidazole dinitrate;

 

9H-Imidazo(1,2-A)benzimidazole, 9-(2-(diethylamino)ethyl)-2-phenyl-, dinitrate Specification

This chemical is called 9H-Imidazo(1,2-A)benzimidazole, 9-(2-(diethylamino)ethyl)-2-phenyl-, dinitrate, and it's also named as N,N-diethyl-2-(2-phenyl-9H-imidazo[1,2-a]benzimidazol-9-yl)ethanamine dinitrate. With the molecular formula of C21H26N6O6, its molecular weight is 458.47. The CAS registry number of this chemical is 72025-10-6.

Other characteristics of the 9H-Imidazo(1,2-A)benzimidazole, 9-(2-(diethylamino)ethyl)-2-phenyl-, dinitrate can be summarised as followings: (1)ACD/LogP: 5.09; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 25.47 Å2; (7)Flash Point: 243.3 °C; (8)Enthalpy of Vaporization: 74.29 kJ/mol; (9)Boiling Point: 478.7 °C at 760 mmHg; (10)Vapour Pressure: 2.51E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)O.[O-][N+](=O)O.n2c(cn3c1c(cccc1)n(c23)CCN(CC)CC)c4ccccc4
2.InChI: InChI=1/C21H24N4.2HNO3/c1-3-23(4-2)14-15-24-19-12-8-9-13-20(19)25-16-18(22-21(24)25)17-10-6-5-7-11-17;2*2-1(3)4/h5-13,16H,3-4,14-15H2,1-2H3;2*(H,2,3,4)
3.InChIKey: SUMZQDDZNACRHF-UHFFFAOYAZ

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 330mg/kg (330mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Pharmaceutical Chemistry Journal Vol. 13, Pg. 829, 1979.

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