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88422-94-0

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Basic Information
CAS No.: 88422-94-0
Name: 1-(N-ACETYLAMINO)-2-(4-CHLOROPHENYL)-ETHANE
Article Data: 7
Molecular Structure:
Molecular Structure of 88422-94-0 (1-(N-ACETYLAMINO)-2-(4-CHLOROPHENYL)-ETHANE)
Formula: C10H12ClNO
Molecular Weight: 197.664
Synonyms: N-[2-(4-Chlorophenyl)ethyl]acetamide;
Density: 1.142g/cm3
Boiling Point: 377.002 °C at 760 mmHg
Flash Point: 181.804 °C
PSA: 29.10000
LogP: 2.40950
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Specification

The Acetamide,N-[2-(4-chlorophenyl)ethyl]-, with CAS registry number 88422-94-0, has the systematic name of N-[2-(4-chlorophenyl)ethyl]acetamide. Besides this, it is also called 1-(N-Acetylamino)-2-(4-chlorophenyl)-ethane. And the chemical formula of this chemical is C10H12ClNO.

Physical properties of Acetamide,N-[2-(4-chlorophenyl)ethyl]-: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 12; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 205; (8)ACD/KOC (pH 7.4): 205; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.1 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 53.587 cm3; (15)Molar Volume: 173.151 cm3; (16)Polarizability: 21.244×10-24cm3; (17)Surface Tension: 38.866 dyne/cm; (18)Density: 1.142 g/cm3; (19)Flash Point: 181.804 °C; (20)Enthalpy of Vaporization: 62.471 kJ/mol; (21)Boiling Point: 377.002 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1)CCNC(=O)C
(2)InChI: InChI=1/C10H12ClNO/c1-8(13)12-7-6-9-2-4-10(11)5-3-9/h2-5H,6-7H2,1H3,(H,12,13)
(3)InChIKey: WUALHNRHDHIVKF-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C10H12ClNO/c1-8(13)12-7-6-9-2-4-10(11)5-3-9/h2-5H,6-7H2,1H3,(H,12,13)
(5)Std. InChIKey: WUALHNRHDHIVKF-UHFFFAOYSA-N