Butanamide,3-oxo-N-(phenylmethyl)- (882-36-0)

The CAS register number of N-Benzylacetoacetamide is 882-36-0. It also can be called as Butanamide, 3-oxo-N-(phenylmethyl)- and the IUPAC name about this chemical is N-benzyl-3-oxobutanamide. The molecular formula about this chemical is C₁₁H₁₃NO₂ and the molecular weight is 191.23. It belongs to the following product categories, such as Aromatics Compounds; Aromatics and so on.

Physical properties about N-Benzylacetoacetamide are: (1)ACD/LogP: 0.60; (2)ACD/LogD (pH 5.5): 0.6; (3)ACD/LogD (pH 7.4): 0.49; (4)ACD/BCF (pH 5.5): 1.69; (5)ACD/BCF (pH 7.4): 1.31; (6)ACD/KOC (pH 5.5): 50.56; (7)ACD/KOC (pH 7.4): 39.3; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 37.38Ų; (12)Index of Refraction: 1.522; (13)Molar Refractivity: 53.35 cm³; (14)Molar Volume: 174.8 cm³; (15)Polarizability: 21.15x10^-24cm³; (16)Surface Tension: 40.6 dyne/cm; (17)Enthalpy of Vaporization: 65.01 kJ/mol; (18)Boiling Point: 399.4 °C at 760 mmHg; (19)Vapour Pressure: 1.38E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by diketene and benzylamine. This reaction will need reagent water.

Uses of N-Benzylacetoacetamide: it can be used to produce N-benzyl-2-hydroxyimino-3-oxo-butyramide. This reaction will need reagent sodium nitrite and solvent acetic acid. The yield is about 82%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)CC(=O)NCc1ccccc1
(2)InChI: InChI=1/C11H13NO2/c1-9(13)7-11(14)12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)
(3)InChIKey: KOHNUEXAOQRRPI-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C11H13NO2/c1-9(13)7-11(14)12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14)
(5)Std. InChIKey: KOHNUEXAOQRRPI-UHFFFAOYSA-N