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CAS Number: 116290-72-3
4-(piperazin-1-yl)benzonitrile hydrochloride

Structure

 4-(piperazin-1-yl)benzonitrile hydrochloride
Name: 4-(piperazin-1-yl)benzonitrile hydrochloride
Synonyms:
General Information
Product Number: 116290723

CAS Registry Number 116290-72-3
(Component: 68104-63-2)
Name:
Benzonitrile, 4-?(1-?piperazinyl)?-?, hydrochloride (1:1)
Benzonitrile, 4-(1-piperazinyl)-, monohydrochloride (9CI)
4-(Piperazin-1-yl)benzonitrile hydrochloride

 

Chemical Formula: C11H14ClN3
Exact Mass: 223.09
Molecular Weight: 223.70
m/z: 223.09 (100.0%), 225.08 (32.0%), 224.09 (12.1%), 226.09 (3.9%), 224.08 (1.1%)

 

InChI:InChI=1S/C11H13N3.ClH/c12-9-10-1-3-11(4-2-10)14-7-5-13-6-8-14;/h1-4,13H,5-8H2;1H

InChI Key:FVZWHLFETLOKSR-UHFFFAOYSA-N

Canonical SMILES:C1CN(CCN1)C2=CC=C(C=C2)C#N.Cl

 

Thermal Properties Value Condition Note
Melting Point >160 °C (decomp)   (1)IC
Melting Point 160 °C (decomp) Solv: ethanol (64-17-5) (2)CAS
Melting Point 160 °C (decomp)   (3)IC

Specification

98%
References
  1. (1) Walsh, David Allan; EP 277725 A2 1988 CAPLUS
  2. (2) Weng, Zhiyong; Journal of Chemical Research 2011, V35(1), P43-46 CAPLUS
  3. (3) Walsh, David Allen; EP 269383 A2 1988 CAPLUS
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