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13534-87-7

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Basic Information
CAS No.: 13534-87-7
Name: 2-(acetylphenylamino)ethyl acetate
Article Data: 6
Molecular Structure:
Molecular Structure of 13534-87-7 (2-(acetylphenylamino)ethyl acetate)
Formula: C12H15NO3
Molecular Weight: 221.256
Synonyms: Acetanilide,N-(2-hydroxyethyl)-, acetate (ester) (8CI);N-(2-Acetoxyethyl)acetanilide;N-(2-Acetyloxyethyl)acetanilide;2-[Acetyl(phenyl)amino]ethyl acetate;AI3-10530;AC1Q5I9V;AC1L35O9;2-(N-Acetylanilino)ethyl acetate;CID83560;Acetamide, N-(2-(acetyloxy)ethyl)-N-phenyl-;
EINECS: 236-892-5
Density: 1.14 g/cm3
Boiling Point: 332.7 °C at 760 mmHg
Flash Point: 155 °C
PSA: 46.61000
LogP: 1.60260
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Specification

The Acetamide,N-[2-(acetyloxy)ethyl]-N-phenyl- with CAS registry number of 13534-87-7 is also known as N-(2-Acetoxyethyl)acetanilide. The IUPAC name is 2-(N-Acetylanilino)ethyl acetate. Its EINECS registry number is 236-892-5. In addition, the formula is C12H15NO3 and the molecular weight is 221.25.

Physical properties about Acetamide,N-[2-(acetyloxy)ethyl]-N-phenyl- are: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.57; (6)ACD/BCF (pH 7.4): 3.57; (7)ACD/KOC (pH 5.5): 86.62; (8)ACD/KOC (pH 7.4): 86.62; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.61Å2; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 60.9 cm3; (15)Molar Volume: 194 cm3; (16)Polarizability: 24.14×10-24cm3; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.14 g/cm3; (19)Flash Point: 155 °C; (20)Enthalpy of Vaporization: 57.55 kJ/mol; (21)Boiling Point: 332.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000143 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=C(N(c1ccccc1)CCOC(=O)C)C
2. InChI: InChI=1/C12H15NO3/c1-10(14)13(8-9-16-11(2)15)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
3. InChIKey: IGXHOQNEKVKXSV-UHFFFAOYAZ
4. Std. InChI: InChI=1S/C12H15NO3/c1-10(14)13(8-9-16-11(2)15)12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3
5. Std. InChIKey: IGXHOQNEKVKXSV-UHFFFAOYSA-N