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CAS No.: | 67257-13-0 |
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Name: | 2-chloro-N-(2-ethyl-6-methyl-phenyl)-N-(1-methoxypropan-2-yl)acetamide; 6-methylsulfanyl-N,N-dipropan-2-yl-1,3,5-triazine-2,4-diamine |
Molecular Structure: | |
Formula: | C25H41ClN6O2S |
Molecular Weight: | 525.15 |
Synonyms: | 2-Chloro-N-(2-ethyl-6-methyl-phenyl)-N-(1-methoxypropan-2-yl)acetamide; 6-methylsulfanyl-N, N-dipropan-2-yl-1, 3, 5-triazine-2, 4-diamine; |
Boiling Point: | 406.8 °C at 760 mmHg |
Flash Point: | 199.8 °C |
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The 2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide - 6-(methylsulfanyl)-N, N'-di(propan-2-yl)-1, 3, 5-triazine-2, 4-diamine (1:1), with the CAS registry number 67257-13-0, is also known as 2-Chloro-N-(2-ethyl-6-methyl-phenyl)-N-(1-methoxypropan-2-yl)acetamide; 6-methylsulfanyl-N, N-dipropan-2-yl-1, 3, 5-triazine-2, 4-diamine. This chemical's molecular formula is C25H41ClN6O2S and molecular weight is 525.15. What's more, its systematic name is 2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide - 6-(methylsulfanyl)-N, N'-di(propan-2-yl)-1, 3, 5-triazine-2, 4-diamine (1:1).
Physical properties about 2-Chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide - 6-(methylsulfanyl)-N, N'-di(propan-2-yl)-1, 3, 5-triazine-2, 4-diamine (1:1) are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 112.99; (6)ACD/BCF (pH 7.4): 113; (7)ACD/KOC (pH 5.5): 1026.01; (8)ACD/KOC (pH 7.4): 1026.1; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å2; (13)Flash Point: 199.8 °C; (14)Enthalpy of Vaporization: 65.86 kJ/mol; (15)Boiling Point: 406.8 °C at 760 mmHg; (16)Vapour Pressure: 7.91E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(=O)N(c1c(cccc1CC)C)C(C)COC.S(c1nc(nc(n1)NC(C)C)NC(C)C)C
(2) InChI: InChI=1/C15H22ClNO2.C10H19N5S/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4;1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-8,12H,5,9-10H2,1-4H3;6-7H,1-5H3,(H2,11,12,13,14,15)
(3) InChIKey: ZPLGLRRHTDVMNS-UHFFFAOYAK