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379255-22-8

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Basic Information
CAS No.: 379255-22-8
Name: 2-CHLORO-N-(4-PIPERIDIN-1-YL-PHENYL)-ACETAMIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 379255-22-8 (2-CHLORO-N-(4-PIPERIDIN-1-YL-PHENYL)-ACETAMIDE)
Formula: C13H17ClN2O
Molecular Weight: 252.744
Synonyms: 2-Chloro-N-[4-(piperidin-1-yl)phenyl]acetamide;2-Chloro-N-(4-piperidinophenyl)acetamide;
Density: 1.225 g/cm3
Boiling Point: 462.9 °C at 760 mmHg
Flash Point: 233.8 °C
Hazard Symbols: IrritantXi
PSA: 32.34000
LogP: 2.99220
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Specification

The Acetamide,2-chloro-N-[4-(1-piperidinyl)phenyl]-, with the CAS registry number 379255-22-8, is also known as 2-Chloro-N-(4-piperidinophenyl)acetamide. This chemical's molecular formula is C13H17ClN2O and molecular weight is 252.74. What's more, its systematic name is 2-Chloro-N-[4-(piperidin-1-yl)phenyl]acetamide.

Physical properties of Acetamide,2-chloro-N-[4-(1-piperidinyl)phenyl]- are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 2.31; (5)ACD/BCF (pH 5.5): 5.21; (6)ACD/BCF (pH 7.4): 33.21; (7)ACD/KOC (pH 5.5): 65.66; (8)ACD/KOC (pH 7.4): 418.46; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 70.19 cm3; (15)Molar Volume: 206.1 cm3; (16)Polarizability: 27.82×10-24 cm3; (17)Surface Tension: 51.2 dyne/cm; (18)Density: 1.225 g/cm3; (19)Flash Point: 233.8 °C; (20)Enthalpy of Vaporization: 72.41 kJ/mol; (21)Boiling Point: 462.9 °C at 760 mmHg; (22)Vapour Pressure: 9.47E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCl
(2)InChI: InChI=1S/C13H17ClN2O/c14-10-13(17)15-11-4-6-12(7-5-11)16-8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,15,17)
(3)InChIKey: MHJOHHYWAINXBF-UHFFFAOYSA-N