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170655-46-6

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Basic Information
CAS No.: 170655-46-6
Name: 2-CHLORO-N-(4-MORPHOLIN-4-YL-PHENYL)-ACETAMIDE
Article Data: 6
Molecular Structure:
Molecular Structure of 170655-46-6 (2-CHLORO-N-(4-MORPHOLIN-4-YL-PHENYL)-ACETAMIDE)
Formula: C12H15ClN2O2
Molecular Weight: 254.716
Synonyms: 2-Chloro-N-[4-(morpholino)phenyl]acetamide;2-Chloro-N-[4-(morpholin-4-yl)phenyl]acetamide;2-Chloro-N-[4-(4-morpholinyl)phenyl]acetamide;
Density: 1.291 g/cm3
Boiling Point: 486.1 °C at 760 mmHg
Flash Point: 247.8 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
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PSA: 41.57000
LogP: 1.83850
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Specification

The Acetamide,2-chloro-N-[4-(4-morpholinyl)phenyl]-, with the CAS registry number 170655-46-6, is also known as 2-Chloro-N-[4-(morpholino)phenyl]acetamide. This chemical's molecular formula is C12H15ClN2O2 and molecular weight is 254.71. What's more, its systematic name is 2-Chloro-N-[4-(morpholin-4-yl)phenyl]acetamide.

Physical properties of Acetamide,2-chloro-N-[4-(4-morpholinyl)phenyl]- are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.04; (7)ACD/KOC (pH 5.5): 20.4; (8)ACD/KOC (pH 7.4): 57.67; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 67.18 cm3; (15)Molar Volume: 197.2 cm3; (16)Polarizability: 26.63×10-24 cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.291 g/cm3; (19)Flash Point: 247.8 °C; (20)Enthalpy of Vaporization: 75.18 kJ/mol; (21)Boiling Point: 486.1 °C at 760 mmHg; (22)Vapour Pressure: 1.33E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COCCN1C2=CC=C(C=C2)NC(=O)CCl
(2)InChI: InChI=1S/C12H15ClN2O2/c13-9-12(16)14-10-1-3-11(4-2-10)15-5-7-17-8-6-15/h1-4H,5-9H2,(H,14,16)
(3)InChIKey: WNCPYARGOVXDAO-UHFFFAOYSA-N