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CAS No.: | 2415-85-2 |
---|---|
Name: | N-(4-Methylphenyl)-3-oxobutanamide |
Article Data: | 47 |
Molecular Structure: | |
Formula: | C11H13NO2 |
Molecular Weight: | 191.23 |
Synonyms: | p-Acetoacetotoluidide(6CI,7CI,8CI);1-(4-Methylphenylamino)buta-1,3-dione;4'-Methylacetoacetanilide;Acetoacet-p-toluidide;Acetoacetic acid p-toluidide;NSC 50631;p-Methylacetoacetanilide; |
EINECS: | 219-327-7 |
Density: | 1.132 g/cm3 |
Melting Point: | 95°C |
Boiling Point: | 376 °C at 760 mmHg |
Flash Point: | 162 °C |
Appearance: | Off-white crystalline powder flakes |
Hazard Symbols: | 36/37/38:; |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 46.17000 |
LogP: | 1.98560 |
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This chemical is called Butanamide, N-(4-methylphenyl)-3-oxo-, and its CAS registry number is 2415-85-2. With the molecular formula of C11H13NO2, its molecular weight is 191.23. Additionally, its product categories are Intermediates of Dyes and Pigments; Aromatic Amine Products.
Other characteristics of the Butanamide, N-(4-methylphenyl)-3-oxo- can be summarised as followings: (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): 122.07; (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: 21.66×10-24cm3; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.132 g/cm3; (19)Flash Point: 162 °C; (20)Enthalpy of Vaporization: 62.35 kJ/mol; (21)Boiling Point: 376 °C at 760 mmHg; (22)Vapour Pressure: 7.5E-06 mmHg at 25°C.
Uses of this chemical: The Butanamide, N-(4-methylphenyl)-3-oxo- is used as coupling components for the synthesis of C.I. Pigment Yellow 55 and Pigment Orange 63. It's often used as intermediates of dye, organic pigment. The 2-methyl-[1,8]naphthyridine-3-carboxylic acid p-tolyl-amide could be made by the Butanamide, N-(4-methylphenyl)-3-oxo- as following:
You can still convert the following datas into molecular structure:
1.SMILES: O=C(Nc1ccc(cc1)C)CC(=O)C
2.InChI: InChI=1/C11H13NO2/c1-8-3-5-10(6-4-8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)
3.InChIKey: MJGLMEMIYDUEHA-UHFFFAOYAZ