CAS No.5234-26-4,N-(2-ACETYL-PHENYL)-ACETAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5234-26-4
Name:	N-(2-ACETYL-PHENYL)-ACETAMIDE
Article Data:	62

Formula:	C₁₀H₁₁NO₂
Molecular Weight:	177.203
Synonyms:	Acetanilide,2'-acetyl- (6CI,7CI,8CI);2'-(Acetylamino)acetophenone;2'-(N-Acetylamino)acetophenone;2'-Acetamidoacetophenone;2'-Acetylacetanilide;N-(2-Acetylphenyl)acetamide;N-(o-Acetylphenyl)acetamide;NSC 12469;o-Acetamidoacetophenone;
Density:	1.15 g/cm³
Melting Point:	77 °C(Solv: ethyl ether (60-29-7))
Boiling Point:	367.4 °C at 760 mmHg
Flash Point:	165.1 °C
PSA:	46.17000
LogP:	1.92060

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Specification

The N-(2-Acetylphenyl)acetamide, with the CAS registry number 5234-26-4, has the systematic name and IUPAC name of N-(2-acetylphenyl)acetamide. And the molecular formula of the chemical is C₁₀H₁₁NO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.50; (2)#ofRuleof5Violations: 0; (3)ACD/LogD(pH5.5): 1.5; (4)ACD/LogD(pH7.4): 1.5; (5)ACD/BCF(pH5.5): 8.12; (6)ACD/BCF(pH7.4): 8.12; (7)ACD/KOC(pH5.5): 155.79; (8)ACD/KOC(pH7.4): 155.79; (9)#Hbondacceptors: 3; (10)#Hbonddonors: 1; (11)#FreelyRotatingBonds: 2; (12)PolarSurfaceArea: 37.38 Å²; (13)IndexofRefraction: 1.57; (14)MolarRefractivity: 50.55cm³; (15)MolarVolume: 154cm³; (16)Polarizability: 20.04 ×10^-24cm³; (17)SurfaceTension: 43.7dyne/cm; (18)Density: 1.15g/cm³; (19)FlashPoint: 165.1°C; (20)EnthalpyofVaporization: 61.39kJ/mol; (21)BoilingPoint: 367.4°Cat760mmHg; (22)VapourPressure: 1.37E-05mmHgat25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Nc1ccccc1C(=O)C)C
(2)InChI: InChI=1/C10H11NO2/c1-7(12)9-5-3-4-6-10(9)11-8(2)13/h3-6H,1-2H3,(H,11,13)
(3)InChIKey: YSZGCNKBKQQPAH-UHFFFAOYAG

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	300mg/kg (300mg/kg)		French Demande Patent Document. Vol. #2121391,
mouse	LD50	oral	1296mg/kg (1296mg/kg)	BEHAVIORAL: ANALGESIA	Farmaco, Edizione Scientifica. Vol. 38, Pg. 847, 1983.