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CAS Number: 20821-52-7
1-benzylpiperidin-4-one hydrochloride

Structure

1-benzylpiperidin-4-one hydrochloride
Name: 1-benzylpiperidin-4-one hydrochloride
Synonyms:
General Information
Product Number: 20821527

CAS Registry Number 20821-52-7
(Component: 3612-20-2)
Name:
4-?Piperidinone, 1-?(phenylmethyl)?-?, hydrochloride (1:1)
4-Piperidinone, 1-(phenylmethyl)-, hydrochloride (9CI)
4-Piperidone, 1-benzyl-, hydrochloride (6CI,8CI)
1-Benzyl-4-piperidinone hydrochloride
1-Benzyl-4-piperidone hydrochloride

 

Chemical Formula: C12H16ClNO
Exact Mass: 225.09
Molecular Weight: 225.71
m/z: 225.09 (100.0%), 227.09 (32.0%), 226.10 (13.2%), 228.09 (4.3%), 227.10 (1.0%)

 

InChI:InChI=1S/C12H15NO.ClH/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H

InChI Key:IPFLWJCPYGCLHG-UHFFFAOYSA-N

Canonical SMILES;C1CN(CCC1=O)CC2=CC=CC=C2.Cl

 

Thermal Properties Value Condition Note
Melting Point 210-211.5 °C   (1)CAS
Melting Point 159-161 °C   (2)CAS
Melting Point 158-160 °C Solv: acetone (67-64-1); ethyl ether (60-29-7) (3)CAS

Specification

98%

References
  1. (1) Da Re, P.; Farmaco, Edizione Scientifica 1957, V12, P34-40 CAPLUS
  2. (2) Bolyard, N. W.; Journal of the American Chemical Society 1930, V52, P1030-2 CAPLUS
  3. (3) Brookes, Peter; Journal of the Chemical Society 1957, P3173-5 CAPLUS
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