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50585-92-7

Basic Information
CAS No.: 50585-92-7
Name: 1-Benzylpiperidine-3-carboxylic acid hydrochloride
Molecular Structure:
Molecular Structure of 50585-92-7 (1-Benzylpiperidine-3-carboxylic acid hydrochloride)
Formula: C13H17NO2.ClH
Molecular Weight: 255.744
Synonyms: 3-Piperidinecarboxylicacid, 1-(phenylmethyl)-, hydrochloride (9CI);
Boiling Point: 388.2 °C at 760 mmHg
Flash Point: 188.6 °C
Hazard Symbols: Xi
PSA: 40.54000
LogP: 2.72310
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Specification

The 3-Piperidinecarboxylicacid, 1-(phenylmethyl)-, hydrochloride (1:1), with its CAS registry number 50585-92-7, has its systematic name of 1-benzylpiperidine-3-carboxylic acid hydrochloride. And this chemical has its molecular formula of C13H18ClNO2 and molecular weight of 255.74. Besides, it may cause inflammation to the skin or other mucous membranes, so you should be careful while using it.

Physical properties of 3-Piperidinecarboxylicacid, 1-(phenylmethyl)-, hydrochloride (1:1): (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 40.54; (7)Flash Point: 188.6 °C; (8)Enthalpy of Vaporization: 67.23 kJ/mol; (9)Boiling Point: 388.2 °C at 760 mmHg; (10)Vapour Pressure: 1.01E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Cl.OC(=O)C2CN(Cc1ccccc1)CCC2
(2)Std. InChI:InChI=1S/C13H17NO2.ClH/c15-13(16)12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10H2,(H,15,16);1H
(3)Std. InChIKey:GDQLYIBFDWPBDT-UHFFFAOYSA-N