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CAS No.: | 41230-93-7 |
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Name: | 5-BROMO-4-METHYL-PYRIDINE-2,3-DIAMINE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C6H8BrN3 |
Molecular Weight: | 202.054 |
Synonyms: | 4-Picoline,2,3-diamino-5-bromo- (6CI);5-Bromo-2,3-diamino-4-methylpyridine;5-Bromo-4-methylpyridine-2,3-diamine; |
EINECS: | 145-896-5 |
Density: | 1.688 g/cm3 |
Melting Point: | 161-162℃ |
Boiling Point: | 331.221 °C at 760 mmHg |
Flash Point: | 154.118 °C |
PSA: | 64.93000 |
LogP: | 2.47930 |
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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