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N-[9-Phenanthrylmethyl]-N'-{[2'-(9"-phenanthryl)methylamino]propyl}-propane-1,3-diamine - trihydrochloride
SpectraBase Compound ID 5IBU8x0y0Ho
InChI InChI=1S/C36H37N3.3ClH/c1-26(38-23-29-21-27-11-2-4-13-31(27)35-17-8-6-15-33(29)35)24-39(20-10-19-37)25-30-22-28-12-3-5-14-32(28)36-18-9-7-16-34(30)36;;;/h2-9,11-18,21-22,26,38H,10,19-20,23-25,37H2,1H3;3*1H
InChIKey UNHXULCKWLCOET-UHFFFAOYSA-N
Mol Weight 621.1 g/mol
Molecular Formula C36H40Cl3N3
Exact Mass 619.228781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qWGr5JrgQC
Name N-[9-Phenanthrylmethyl]-N'-{[2'-(9"-phenanthryl)methylamino]propyl}-propane-1,3-diamine - trihydrochloride
Alternate Name(s) {1-[(3-aminopropyl)(phenanthren-9-ylmethyl)amino]propan-2-yl}(phenanthren-9-ylmethyl)amine trihydrochloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H40Cl3N3
InChI InChI=1S/C36H37N3.3ClH/c1-26(38-23-29-21-27-11-2-4-13-31(27)35-17-8-6-15-33(29)35)24-39(20-10-19-37)25-30-22-28-12-3-5-14-32(28)36-18-9-7-16-34(30)36;;;/h2-9,11-18,21-22,26,38H,10,19-20,23-25,37H2,1H3;3*1H
InChIKey UNHXULCKWLCOET-UHFFFAOYSA-N
Molecular Weight 621.096 g/mol
SMILES Cl.N(Cc1c2c(cccc2)c2c(c1)cccc2)C(CN(CCCN)Cc1c2c(cccc2)c2c(c1)cccc2)C.Cl.Cl
SPLASH splash10-0006-0930000000-75339e1f9ebc77160a45
Source of Spectrum D8-328-134-5
Wiley ID 1515670