Acetamide,N-[4-(cyanomethyl)phenyl]- (25025-06-3)

The 4-Acetamidophenylacetonitrile with the cas number 25025-06-3 is also called Acetamide,N-[4-(cyanomethyl)phenyl]-. Both the systematic name and IUPAC name are N-[4-(cyanomethyl)phenyl]acetamide. Its molecular formula is C₁₀H₁₀N₂O. The product's category is Aromatic Nitriles. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.31; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1.02; (6)ACD/BCF (pH 7.4): 1.02; (7)ACD/KOC (pH 5.5): 35.27; (8)ACD/KOC (pH 7.4): 35.27; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.1 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 49.98 cm³; (15)Molar Volume: 148.7 cm³; (16)Polarizability: 19.81×10^-24cm³; (17)Surface Tension: 50.2 dyne/cm; (18)Enthalpy of Vaporization: 66.32 kJ/mol; (19)Vapour Pressure: 5.86×10^-7 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of (4-amino-phenyl)-acetonitrile and acetic acid anhydride. This reaction needs reagent pyridine.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(cc1)CC#N)C
(2)InChI: InChI=1/C10H10N2O/c1-8(13)12-10-4-2-9(3-5-10)6-7-11/h2-5H,6H2,1H3,(H,12,13)
(3)InChIKey: SPAOQNOLRMENDZ-UHFFFAOYAG