1H-Imidazo[4,5-f]quinoline,2-methyl- supplier

Name
1H-Imidazo[4,5-f]quinoline,2-methyl-(9CI)
EINECS
CAS No. 93201-85-5
Article Data6
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point
Formula C₁₁H₉N₃
Boiling Point 466.5 °C at 760 mmHg
Molecular Weight 183.213
Flash Point 231.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 625168;2-methyl-3H-imidazo[4,5-f]quinoline;{3H-Imidazo[4,5-f]quinoline,} 2-methyl;1H-Imidazo(4,5-f)quinoline, 2-methyl-;2-Methyl-1H-imidazo(4,5-f)quinoline;3H-Imidazo[4,5-f]quinoline, 2-methyl;
PSA 41.57000
LogP 2.41950

1H-Imidazo[4,5-f]quinoline,2-methyl- Specification

The 1H-Imidazo[4,5-f]quinoline,2-methyl-, with the CAS registry number 93201-85-5, has the systematic name of 2-methyl-3H-imidazo[4,5-f]quinoline. It belongs to the product category of Benzimidazole. And the molecular formula of the chemical is C₁₁H₉N₃.

The characteristics of 1H-Imidazo[4,5-f]quinoline,2-methyl- are as followings: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.39; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 6.49; (6)ACD/BCF (pH 7.4): 7.31; (7)ACD/KOC (pH 5.5): 128.2; (8)ACD/KOC (pH 7.4): 144.44; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.71 Å²; (13)Index of Refraction: 1.765; (14)Molar Refractivity: 57.37 cm³; (15)Molar Volume: 138.7 cm³; (16)Polarizability: 22.74×10^-24cm³; (17)Surface Tension: 69.4 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 231.1 °C; (20)Enthalpy of Vaporization: 70.05 kJ/mol; (21)Boiling Point: 466.5 °C at 760 mmHg; (22)Vapour Pressure: 1.96E-08 mmHg at 25°C.

Preparation of 1H-Imidazo[4,5-f]quinoline,2-methyl-: This chemical can be prepared by quinoline-5,6-diyldiamine. The reaction will need reagent quinoline-5,6-diyldiamine, and the menstruum acetic acid. The reaction time is 4 hours with heating, and the yield is about 56%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n2cccc3c1nc(nc1ccc23)C
(2)InChI: InChI=1/C11H9N3/c1-7-13-10-5-4-9-8(11(10)14-7)3-2-6-12-9/h2-6H,1H3,(H,13,14)
(3)InChIKey: IUQHRMZIDYAPEW-UHFFFAOYAM

Product Name

1H-Imidazo[4,5-f]quinoline,2-methyl-(9CI)

1H-Imidazo[4,5-f]quinoline,2-methyl- Specification

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