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N,N'-Bis-(4-phenylbutyl)-2-(4-phenylbutylaminomethyl)-heptane-1,7-diamine-trihydrochloride

View entire compound with spectra: 1 MS (GC)

N,N'-Bis-(4-phenylbutyl)-2-(4-phenylbutylaminomethyl)-heptane-1,7-diamine-trihydrochloride
SpectraBase Compound ID 2AGWqVwIzT9
InChI InChI=1S/C38H57N3.3ClH/c1-5-19-35(20-6-1)25-12-16-30-39-29-15-4-11-28-38(33-40-31-17-13-26-36-21-7-2-8-22-36)34-41-32-18-14-27-37-23-9-3-10-24-37;;;/h1-3,5-10,19-24,38-41H,4,11-18,25-34H2;3*1H
InChIKey RQTSJWKHVNOQBI-UHFFFAOYSA-N
Mol Weight 662.25 g/mol
Molecular Formula C38H57Cl3N3
Exact Mass 660.361807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zAQUpnfMaW
Name N,N'-Bis-(4-phenylbutyl)-2-(4-phenylbutylaminomethyl)-heptane-1,7-diamine-trihydrochloride
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H60Cl3N3
InChI InChI=1S/C38H57N3.3ClH/c1-5-19-35(20-6-1)25-12-16-30-39-29-15-4-11-28-38(33-40-31-17-13-26-36-21-7-2-8-22-36)34-41-32-18-14-27-37-23-9-3-10-24-37;;;/h1-3,5-10,19-24,38-41H,4,11-18,25-34H2;3*1H
InChIKey RQTSJWKHVNOQBI-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.19913240411
Molecular Weight 665.278 g/mol
SMILES Cl.N(CCCCCC(CNCCCCc1ccccc1)CNCCCCc1ccccc1)CCCCc1ccccc1.Cl.Cl
SPLASH splash10-0006-9542010000-8de7dc235ebf52f2c0b1
Source of Spectrum APC-324-246-26
Synonyms N1,N7-bis(4-phenylbutyl)-2-(((4-phenylbutyl)amino)methyl)heptane-1,7-diamine trihydrochloride
Wiley ID 1799019