CAS No.16960-49-9,N-[4-(1-oxopropyl)phenyl]acetamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16960-49-9
Name:	N-[4-(1-oxopropyl)phenyl]acetamide
Article Data:	9

Formula:	C₁₁H₁₃NO₂
Molecular Weight:	191.23
Synonyms:	Acetanilide,4'-propionyl- (6CI,8CI);(4'-Propionyl)acetanilide;4'-Acetamidopropiophenone;NSC 169084;p-Acetamidopropiophenone;Acetanilide, 4'-propionyl-;p-Acetamidopropiophenone;N-(4-Propanoylphenyl)acetamide;p-Propionylacetanilide;
EINECS:	241-032-7
Density:	1.121 g/cm³
Melting Point:	172-173℃
Boiling Point:	397.5 °C at 760 mmHg
Flash Point:	173.4 °C
PSA:	46.17000
LogP:	2.31070

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Specification

The N-[4-(1-oxopropyl)phenyl]acetamide with CAS registry number of 16960-49-9 is also known as (4'-Propionyl)acetanilide and 4'-Acetamidopropiophenone. The IUPAC name is N-(4-Propanoylphenyl)acetamide. Its EINECS registry number is 241-032-7. In addition, the formula is C₁₁H₁₃NO₂ and the molecular weight is 191.23.

Physical properties about this chemical are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.05; (6)ACD/BCF (pH 7.4): 13.05; (7)ACD/KOC (pH 5.5): 218.85; (8)ACD/KOC (pH 7.4): 218.85; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 37.38Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 55.18 cm³; (15)Molar Volume: 170.5 cm³; (16)Polarizability: 21.87×10^-24cm³; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.121 g/cm³; (19)Flash Point: 173.4 °C; (20)Enthalpy of Vaporization: 64.79 kJ/mol; (21)Boiling Point: 397.5 °C at 760 mmHg; (22)Vapour Pressure: 1.58E-06 mmHg at 25 °C.

Uses of N-[4-(1-oxopropyl)phenyl]acetamide: it is used to produce 4-(4-Acetylamino-phenyl)-2-hydroxy-3-methyl-4-oxo-butyric acid by reaction with Oxoacetic acid. The reaction occurs with reagents 1N NaOH, Benzyltriethylammonium chloride and solvent Methanol at ambient temperature for 6 hours. The yield is 59%.

N-[4-(1-oxopropyl)phenyl]acetamide is used to produce 4-(4-Acetylamino-phenyl)-2-hydroxy-3-methyl-4-oxo-butyric acid by reaction with Oxoacetic acid.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(Nc1ccc(cc1)C(=O)CC)C
2. InChI: InChI=1/C11H13NO2/c1-3-11(14)9-4-6-10(7-5-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)
3. InChIKey: JGCDYYAXNUYBHB-UHFFFAOYAO
4. Std. InChI: InChI=1S/C11H13NO2/c1-3-11(14)9-4-6-10(7-5-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)
5. Std. InChIKey: JGCDYYAXNUYBHB-UHFFFAOYSA-N