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251097-15-1

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Basic Information
CAS No.: 251097-15-1
Name: 2-CHLORO-N-(4-PYRROLIDIN-1-YL-PHENYL)-ACETAMIDE
Molecular Structure:
Molecular Structure of 251097-15-1 (2-CHLORO-N-(4-PYRROLIDIN-1-YL-PHENYL)-ACETAMIDE)
Formula: C12H15ClN2O
Molecular Weight: 238.71
Synonyms: 2-Chloro-N-[4-(pyrrolidin-1-yl)phenyl]acetamide;2-Chloro-N-[4-(1-pyrrolidinyl)phenyl]acetamide;2-Chloro-N-(4-pyrrolidinylphenyl)acetamide;
Density: 1.266 g/cm3
Boiling Point: 453.1 °C at 760 mmHg
Flash Point: 227.8 °C
Hazard Symbols: IrritantXi
PSA: 32.34000
LogP: 2.60210
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Specification

The Acetamide,2-chloro-N-[4-(1-pyrrolidinyl)phenyl]-, with the CAS registry number 251097-15-1, is also known as 2-Chloro-N-[4-(1-pyrrolidinyl)phenyl]acetamide. This chemical's molecular formula is C12H15ClN2O and molecular weight is 238.71. What's more, its systematic name is 2-Chloro-N-[4-(pyrrolidin-1-yl)phenyl]acetamide.

Physical properties of Acetamide,2-chloro-N-[4-(1-pyrrolidinyl)phenyl]- are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 1.82; (6)ACD/BCF (pH 7.4): 12.3; (7)ACD/KOC (pH 5.5): 30.28; (8)ACD/KOC (pH 7.4): 205.2; (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: 1.612; (14)Molar Refractivity: 65.57 cm3; (15)Molar Volume: 188.4 cm3; (16)Polarizability: 25.99×10-24 cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Density: 1.266 g/cm3; (19)Flash Point: 227.8 °C; (20)Enthalpy of Vaporization: 71.24 kJ/mol; (21)Boiling Point: 453.1 °C at 760 mmHg; (22)Vapour Pressure: 2.13E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(C1)C2=CC=C(C=C2)NC(=O)CCl
(2)InChI: InChI=1S/C12H15ClN2O/c13-9-12(16)14-10-3-5-11(6-4-10)15-7-1-2-8-15/h3-6H,1-2,7-9H2,(H,14,16)
(3)InChIKey: FNVRQNQKCUANBZ-UHFFFAOYSA-N