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N-[2-(4-benzyl-1-piperazinyl)ethyl]propionanilide, dihydrochloride, hemihydrate

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N-[2-(4-benzyl-1-piperazinyl)ethyl]propionanilide, dihydrochloride, hemihydrate
SpectraBase Compound ID 2OflWR63P27
InChI InChI=1S/2C22H29N3O.4ClH.H2O/c2*1-2-22(26)25(21-11-7-4-8-12-21)18-17-23-13-15-24(16-14-23)19-20-9-5-3-6-10-20;;;;;/h2*3-12H,2,13-19H2,1H3;4*1H;1H2
InChIKey NFOFLEJZGNSVST-UHFFFAOYSA-N
Mol Weight 433.42 g/mol
Molecular Formula C22H31Cl2N3O·½H2O
Exact Mass 432.1897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ba3d7OgUgtk
Name N-[2-(4-BENZYL-1-PIPERAZINYL)ETHYL]PROPIONANILIDE, DIHYDROCHLORIDE, HEMIHYDRATE
Source of Sample J. Okada, Kyoto University, Kyoto, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29N3O 2HCl 1/2H2O
InChI InChI=1S/2C22H29N3O.4ClH.H2O/c2*1-2-22(26)25(21-11-7-4-8-12-21)18-17-23-13-15-24(16-14-23)19-20-9-5-3-6-10-20;;;;;/h2*3-12H,2,13-19H2,1H3;4*1H;1H2
InChIKey NFOFLEJZGNSVST-UHFFFAOYSA-N
Melting Point 239C
Molecular Weight 433.43
Solvent Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20
Synonyms PROPIONANILIDE, N-/2-/4-BENZYL- 1-PIPERAZINYL/ETHYL/-, DIHYDROCHLORIDE, HEMIHYDRATE