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| CAS No.: | 41131-65-1 |
|---|---|
| Name: | N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutyramide) |
| Molecular Structure: | |
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| Formula: | C15H17ClN2O4 |
| Molecular Weight: | 324.764 |
| Synonyms: | 1,4-Bis(acetoacetamido)-2-chloro-5-methylbenzene;2-Methyl-5-chloro-1,4-bis(acetoacetylamino)benzene; |
| EINECS: | 255-235-3 |
| Density: | 1.33 g/cm3 |
| Boiling Point: | 558.6 °C at 760 mmHg |
| Flash Point: | 291.6 °C |
| Appearance: | Off-white to brownish powder |
| PSA: | 92.34000 |
| LogP: | 2.62960 |
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- Total:38 Page 1 of 1 1
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Specification
This chemical is called Butanamide, N,N'-(2-chloro-5-methyl-1,4-phenylene)bis[3-oxo-, and its systematic name is N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutyramide). With the molecular formula of C15H17ClN2O4, its molecular weight is 324.76. The CAS registry number of this chemical is 41131-65-1. In addition, this chemical is used as intermediate for the manufacture of organic pigments on the base of bisacetacetic acid arylides.
Other characteristics of the Butanamide, N,N'-(2-chloro-5-methyl-1,4-phenylene)bis[3-oxo- can be summarised as followings: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.14; (4)ACD/LogD (pH 7.4): -0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.09; (8)ACD/KOC (pH 7.4): 19.82; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 74.76 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 83.1 cm3; (15)Molar Volume: 244 cm3; (16)Polarizability: 32.94×10-24cm3; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 291.6 °C; (20)Enthalpy of Vaporization: 84.07 kJ/mol; (21)Boiling Point: 558.6 °C at 760 mmHg; (22)Vapour Pressure: 1.64E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(c(cc1NC(=O)CC(=O)C)C)NC(=O)CC(=O)C
2.InChI: InChI=1/C15H17ClN2O4/c1-8-4-13(18-15(22)6-10(3)20)11(16)7-12(8)17-14(21)5-9(2)19/h4,7H,5-6H2,1-3H3,(H,17,21)(H,18,22)
3.InChIKey: BXICAEQXJKTNSD-UHFFFAOYAI