-
Name
2-Amino-3-methyl-3H-imidazo[4,5-F]isoquinoline
- EINECS
- CAS No. 147293-15-0
- Article Data1
- CAS DataBase
- Density 1.413 g/cm3
- Solubility
- Melting Point >300 °C
- Formula C11H10N4
- Boiling Point 476.856 °C at 760 mmHg
- Molecular Weight 198.227
- Flash Point 242.194 °C
- Transport Information
- Appearance Yellow to light brown solid
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 3H-Imidazo[4,5-f]isoquinolin-2-amine,3-methyl-(9CI);3-Methyl-3H-imidazo[4,5-f]isoquinolin-2-amine
- PSA 56.73000
- LogP 2.28490
2-Amino-3-methyl-3H-imidazo[4,5-F]isoquinoline Specification
This chemical is called 3H-Imidazo(4,5-f)isoquinolin-2-amine, 3-methyl-, and its molecular formula is C11H10N4. With the CAS registry number of 147293-15-0, its product categories are Benzimidazole; Detergents; Heterocycles; Mutagenesis Research Chemicals.
Other characteristics of the 3H-Imidazo(4,5-f)isoquinolin-2-amine, 3-methyl- can be summarised as followings: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.51; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 1.27; (6)ACD/BCF (pH 7.4): 2.05; (7)ACD/KOC (pH 5.5): 36; (8)ACD/KOC (pH 7.4): 58.13; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 33.95 Å2; (13)Index of Refraction: 1.754; (14)Molar Refractivity: 57.38 cm3; (15)Molar Volume: 140.2 cm3; (16)Polarizability: 22.74×10-24cm3; (17)Surface Tension: 58.5 dyne/cm; (18)Density: 1.41 g/cm3; (19)Flash Point: 242.2 °C; (20)Enthalpy of Vaporization: 74.07 kJ/mol; (21)Boiling Point: 476.9 °C at 760 mmHg; (22)Vapour Pressure: 2.94E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n3ccc2c1nc(n(c1ccc2c3)C)N
2.InChI: InChI=1/C11H10N4/c1-15-9-3-2-7-6-13-5-4-8(7)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)
3.InChIKey: ADHARTAVWVLWEN-UHFFFAOYAN
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