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| CAS No.: | 203506-01-8 |
|---|---|
| Name: | 2-AMINO-6-BROMO-3-METHYLQUINOLINE |
| Molecular Structure: | |
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| Formula: | C10H9BrN2 |
| Molecular Weight: | 237.099 |
| Synonyms: | 2-Amino-6-bromo-3-methylquinoline; |
| Density: | 1.564 g/cm3 |
| Boiling Point: | 371.2 °C at 760 mmHg |
| Flash Point: | 178.3 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 41-22 |
| Safety: | 26-39 |
| PSA: | 38.91000 |
| LogP: | 3.46910 |
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Specification
The 2-Quinolinamine,6-bromo-3-methyl-, with the CAS registry number 203506-01-8, is also known as 2-Amino-6-bromo-3-methylquinoline. This chemical's molecular formula is C10H9BrN2 and molecular weight is 237.1. What's more, both its IUPAC name and systematic name are the same which is called 6-Bromo-3-methylquinolin-2-amine. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2-Quinolinamine,6-bromo-3-methyl- are: (1) ACD/LogP: 2.94; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.34; (4) ACD/LogD (pH 7.4): 2.92; (5) ACD/BCF (pH 5.5): 25.65; (6) ACD/BCF (pH 7.4): 97.23; (7) ACD/KOC (pH 5.5): 240.58; (8) ACD/KOC (pH 7.4): 911.95; (9) #H bond acceptors: 2; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 38.91 Å2; (13) Index of Refraction: 1.705; (14) Molar Refractivity: 58.93 cm3; (15) Molar Volume: 151.5 cm3; (16) Surface Tension: 58.6 dyne/cm; (17) Density: 1.564 g/cm3; (18) Flash Point: 178.3 °C; (19) Enthalpy of Vaporization: 61.82 kJ/mol; (20) Boiling Point: 371.2 °C at 760 mmHg; (21) Vapour Pressure: 1.05E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc2nc(N)c(C)cc2c1
(2) InChI: InChI=1/C10H9BrN2/c1-6-4-7-5-8(11)2-3-9(7)13-10(6)12/h2-5H,1H3,(H2,12,13)
(3) InChIKey: DUFGQFDKOSMTAO-UHFFFAOYAU