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CAS No.: | 63843-53-8 |
---|---|
Name: | 4-(3-CHLOROPHENOXY)PIPERIDINE HYDROCHLORIDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C11H15Cl2NO |
Molecular Weight: | 248.152 |
Synonyms: | Piperidine,4-(4-chlorophenoxy)-, hydrochloride (9CI);4-(4-Chlorophenoxy)piperidinehydrochloride;4-(4-Chlorophenoxy)piperidinium chloride;4-(p-Chlorophenoxy)piperidine hydrochloride; |
Boiling Point: | 345.2 °C at 760 mmHg |
Flash Point: | 162.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36-52 |
Safety: | 26 |
PSA: | 21.26000 |
LogP: | 3.60160 |
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The Piperidine, 4-(4-chlorophenoxy)-, hydrochloride (1:1), with the CAS registry number 63843-53-8, is also known as 4-(4-Chloro-phenoxy)-piperidine hydrochloride. This chemical's molecular formula is C11H15Cl2NO and molecular weight is 248.15. What's more, its IUPAC name is 4-(4-Chlorophenoxy)piperidine hydrochloride. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Piperidine, 4-(4-chlorophenoxy)-, hydrochloride (1:1) are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2.43; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 21.26 Å2; (11)Flash Point: 162.6 °C; (12)Enthalpy of Vaporization: 60.09 kJ/mol; (13)Boiling Point: 345.2 °C at 760 mmHg; (14)Vapour Pressure: 4.42E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Clc1ccc(cc1)OC2CCNCC2
(2) InChI: InChI=1/C11H14ClNO.ClH/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11;/h1-4,11,13H,5-8H2;1H
(3) InChIKey: LELTYNIPRLOYCM-UHFFFAOYAE