This chemical is called 2,3-Pyridinediamine, 5-bromo-6-methyl-, and it can also be named as 5-bromo-6-methylpyridine-2,3-diamine. With the molecular formula of C6H8BrN3, its molecular weight is 202.05. The CAS registry number of this chemical is 59352-90-8. Additionally, its product category is Pyridine.
Other characteristics of the 2,3-Pyridinediamine, 5-bromo-6-methyl- can be summarised as followings: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 2.49; (5)ACD/BCF (pH 5.5): 43.29; (6)ACD/BCF (pH 7.4): 45.88; (7)ACD/KOC (pH 5.5): 507.72; (8)ACD/KOC (pH 7.4): 538.2; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 19.37 Å2; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 45.33 cm3; (15)Molar Volume: 119.6 cm3; (16)Polarizability: 17.97×10-24cm3; (17)Surface Tension: 66 dyne/cm; (18)Density: 1.688 g/cm3; (19)Flash Point: 142 °C; (20)Enthalpy of Vaporization: 55.21 kJ/mol; (21)Boiling Point: 311.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000573 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. Wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1c(nc(N)c(N)c1)C
2.InChI: InChI=1/C6H8BrN3/c1-3-4(7)2-5(8)6(9)10-3/h2H,8H2,1H3,(H2,9,10)
3.InChIKey: XFHAYQGHHKCVBA-UHFFFAOYAS
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