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CAS No.: | 662117-20-6 |
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Name: | 5-Chloro-4-methylpyridine-2,3-diamine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H8ClN3 |
Molecular Weight: | 157.6 |
Synonyms: | 2,3-Pyridinediamine, 5-chloro-4-methyl-; |
Density: | 1.365 g/cm3 |
Boiling Point: | 345.5 °C at 760 mmHg |
Flash Point: | 162.7 °C |
PSA: | 64.93000 |
LogP: | 2.37020 |
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The 5-Chloro-4-methylpyridine-2,3-diamine, with the CAS registry number 662117-20-6, is also known as 2,3-Pyridinediamine, 5-chloro-4-methyl-. This chemical's molecular formula is C6H8ClN3 and molecular weight is 157.6. Its systematic name is called 5-Chloro-4-methylpyridine-2,3-diamine.
Physical properties of 5-Chloro-4-methylpyridine-2,3-diamine: (1)ACD/LogP: 2.08; (2)ACD/LogD (pH 5.5): 2.01; (3)ACD/LogD (pH 7.4): 2.08; (4)ACD/BCF (pH 5.5): 19.26; (5)ACD/BCF (pH 7.4): 22.41; (6)ACD/KOC (pH 5.5): 276.9; (7)ACD/KOC (pH 7.4): 322.1; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.658; (12)Molar Refractivity: 42.53 cm3; (13)Molar Volume: 115.4 cm3; (14)Surface Tension: 64 dyne/cm; (15)Density: 1.365 g/cm3; (16)Flash Point: 162.7 °C; (17)Enthalpy of Vaporization: 58.96 kJ/mol; (18)Boiling Point: 345.5 °C at 760 mmHg; (19)Vapour Pressure: 6.14E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(cnc(c1N)N)Cl
(2)InChI: InChI=1/C6H8ClN3/c1-3-4(7)2-10-6(9)5(3)8/h2H,8H2,1H3,(H2,9,10)
(3)InChIKey: RSWAKJOKUAKTLU-UHFFFAOYAX