The CAS register number of 2,3-Pyridinediamine,5-bromo-4-methyl- is 41230-93-7. It also can be called as 5-Bromo-2,3-diamino-4-methylpyridine and the systematic name about this chemical is 5-bromo-4-methylpyridine-2,3-diamine. The molecular formula about this chemical is C6H8BrN3 and the molecular weight is 202.05.
Physical properties about 2,3-Pyridinediamine,5-bromo-4-methyl- are: (1)ACD/LogP: 1.34; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 39; (5)ACD/BCF (pH 7.4): 46; (6)ACD/KOC (pH 5.5): 462; (7)ACD/KOC (pH 7.4): 537; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 64.93Å2; (12)Index of Refraction: 1.682; (13)Molar Refractivity: 45.332 cm3; (14)Molar Volume: 119.677 cm3; (15)Polarizability: 17.971x10-24cm3; (16)Surface Tension: 66.089 dyne/cm; (17)Enthalpy of Vaporization: 57.387 kJ/mol; (18)Boiling Point: 331.221 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc(N)c(N)c1C
(2)InChI: InChI=1/C6H8BrN3/c1-3-4(7)2-10-6(9)5(3)8/h2H,8H2,1H3,(H2,9,10)
(3)InChIKey: FYWHWEYTENZRRF-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C6H8BrN3/c1-3-4(7)2-10-6(9)5(3)8/h2H,8H2,1H3,(H2,9,10)
(5)Std. InChIKey: FYWHWEYTENZRRF-UHFFFAOYSA-N
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