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CAS No.: | 50585-92-7 |
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Name: | 1-Benzylpiperidine-3-carboxylic acid hydrochloride |
Molecular Structure: | |
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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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