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Cas Database |
| Name |
N-(2-Acetylphenyl)acetamide |
EINECS | N/A |
| CAS No. | 5234-26-4 | Density | 1.15 g/cm3 |
| PSA | 46.17000 | LogP | 1.92060 |
| Solubility | N/A | Melting Point |
77 °C(Solv: ethyl ether (60-29-7)) |
| Formula | C10H11NO2 | Boiling Point | 367.4 °C at 760 mmHg |
| Molecular Weight | 177.203 | Flash Point | 165.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 62 |
N-(2-Acetylphenyl)acetamide 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. |
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