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76180-97-7

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Basic Information
CAS No.: 76180-97-7
Name: 1H-Imidazo(4,5-f)quinolin-2-amine
Article Data: 2
Molecular Structure:
Molecular Structure of 76180-97-7 (1H-Imidazo(4,5-f)quinolin-2-amine)
Formula: C10H8N4
Molecular Weight: 184.2
Synonyms: 1H-Imidazo(4,5-f)quinolin-2-amine;3H-imidazo[4,5-f]quinolin-2-amine;
Density: 1.476 g/cm3
Boiling Point: 495.1 °C at 760 mmHg
Flash Point: 285.3 °C
PSA: 68.32000
LogP: 1.62340
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Specification

The 2-Aminoimidazo(4,5-f)quinoline, with the CAS registry number 76180-97-7, has the systematic name of 3H-imidazo[4,5-f]quinolin-2-amine. And the molecular formula of this chemical is C10H8N4. It belongs to the product category of Benzimidazole. In addition, it is a metabolite of the carcinogen 2-amino-3-methylimidazo[4,5-f]quinoline.

The physical properties of 2-Aminoimidazo(4,5-f)quinoline are as following: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.67; (6)ACD/KOC (pH 5.5): 6.67; (7)ACD/KOC (pH 7.4): 49.05; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 33.95 Å2; (12)Index of Refraction: 1.873; (13)Molar Refractivity: 56.78 cm3; (14)Molar Volume: 124.7 cm3; (15)Polarizability: 22.51×10-24cm3; (16)Surface Tension: 94.3 dyne/cm; (17)Density: 1.476 g/cm3; (18)Flash Point: 285.3 °C; (19)Enthalpy of Vaporization: 76.26 kJ/mol; (20)Boiling Point: 495.1 °C at 760 mmHg; (21)Vapour Pressure: 6.09E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2cccc3c1nc(nc1ccc23)N
(2)InChI: InChI=1/C10H8N4/c11-10-13-8-4-3-7-6(9(8)14-10)2-1-5-12-7/h1-5H,(H3,11,13,14)
(3)InChIKey: GSLMSTTZNJHJRA-UHFFFAOYAC