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5-Chloro-2-(4-methylpiperazin-1-yl)aniline

View entire compound with spectra: 1 FTIR

5-Chloro-2-(4-methylpiperazin-1-yl)aniline
SpectraBase Compound ID H0MeuvzSr73
InChI InChI=1S/C11H16ClN3/c1-14-4-6-15(7-5-14)11-3-2-9(12)8-10(11)13/h2-3,8H,4-7,13H2,1H3
InChIKey YCISPNUGBJCZPW-UHFFFAOYSA-N
Mol Weight 225.72 g/mol
Molecular Formula C11H16ClN3
Exact Mass 225.103275 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5QhO0nfpw0V
Name 5-Chloro-2-(4-methylpiperazin-1-yl)aniline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.103275227 u
Formula C11H16ClN3
InChI InChI=1S/C11H16ClN3/c1-14-4-6-15(7-5-14)11-3-2-9(12)8-10(11)13/h2-3,8H,4-7,13H2,1H3
InChIKey YCISPNUGBJCZPW-UHFFFAOYSA-N
Molecular Weight 225.723 g/mol
SMILES C1(Cl)=CC(=C(C=C1)N1CCN(CC1)C)N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908255