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| CAS No.: | 25233-46-9 |
|---|---|
| Name: | 3-OXO-N-M-TOLYL-BUTYRAMIDE |
| Molecular Structure: | |
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| Formula: | C11H13NO2 |
| Molecular Weight: | 191.23 |
| Synonyms: | m-Acetoacetotoluidide(6CI,8CI);3'-Methylacetoacetanilide;N-(3-Methylphenyl)acetoacetamide;NSC165881; |
| Density: | 1.132 g/cm3 |
| Melting Point: | 57-58 °C |
| Boiling Point: | 372.3 °C at 760 mmHg |
| Flash Point: | 160 °C |
| PSA: | 46.17000 |
| LogP: | 1.98560 |
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Specification
The Butanamide,N-(3-methylphenyl)-3-oxo-, with the CAS registry number 25233-46-9, is also known as 3-Oxo-N-m-tolyl-butyramide. This chemical's molecular formula is C11H13NO2 and molecular weight is 191.2264. What's more, both its IUPAC name and systematic name are the same which is called N-(3-Methylphenyl)-3-oxobutanamide.
Physical properties about Butanamide,N-(3-methylphenyl)-3-oxo- are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.31; (5)ACD/BCF (pH 5.5): 5.81; (6)ACD/BCF (pH 7.4): 5.78; (7)ACD/KOC (pH 5.5): 122.67; (8)ACD/KOC (pH 7.4): 122.08; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 54.64 cm3; (15)Molar Volume: 168.9 cm3; (16)Polarizability: 21.66×10-24 cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.132 g/cm3; (19)Flash Point: 160 °C; (20)Enthalpy of Vaporization: 61.95 kJ/mol; (21)Boiling Point: 372.3 °C at 760 mmHg; (22)Vapour Pressure: 9.69E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Nc1cc(ccc1)C)CC(=O)C
(2) InChI: InChI=1/C11H13NO2/c1-8-4-3-5-10(6-8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
(3) InChIKey: MFAHORNLUJVSKK-UHFFFAOYAO