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6652-06-8

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Basic Information
CAS No.: 6652-06-8
Name: 4-(4-Chloro-phenyl)-piperidine hydrochloride
Molecular Structure:
Molecular Structure of 6652-06-8 (4-(4-Chloro-phenyl)-piperidine hydrochloride)
Formula: C11H14CIN
Molecular Weight: 232.153
Synonyms: 4-(4-Chlorophenyl)piperidine hydrochloride;
Boiling Point: 290.7 °C at 760 mmHg
Flash Point: 129.6 °C
PSA: 12.03000
LogP: 3.93780
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Specification

The 4-(4-Chloro-phenyl)-piperidine hydrochloride, with the CAS registry number 6652-06-8, is also known as Piperidine, 4-(4-chlorophenyl)-, hydrochloride. This chemical's molecular formula is C11H14CIN and molecular weight is 195.693. What's more, both its IUPAC name and systematic name are the same which is called 4-(4-Chlorophenyl)piperidine hydrochloride.

Physical properties about 4-(4-Chloro-phenyl)-piperidine hydrochloride are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.11; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.22; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Flash Point: 129.6 °C; (14)Enthalpy of Vaporization: 53.01 kJ/mol; (15)Boiling Point: 290.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00204 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Clc1ccc(cc1)C2CCNCC2
(2) InChI: InChI=1/C11H14ClN.ClH/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10;/h1-4,10,13H,5-8H2;1H
(3) InChIKey: KJZPSLZQMISKHY-UHFFFAOYAL