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4-{2-[bis(2-chloroethyl)amino]ethylamino}-5-chloroquinoline, dihydrochloride, sesquihydrate
SpectraBase Compound ID L7PjZGyuQbd
InChI InChI=1S/2C15H18Cl3N3.4ClH.3H2O/c2*16-5-9-21(10-6-17)11-8-20-14-4-7-19-13-3-1-2-12(18)15(13)14;;;;;;;/h2*1-4,7H,5-6,8-11H2,(H,19,20);4*1H;3*1H2
InChIKey FRIIKJNUCZKEFL-UHFFFAOYSA-N
Mol Weight 446.634 g/mol
Molecular Formula C15H20Cl5N3·3/2H2O
Exact Mass 444.025833 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LJHhlA3tzr2
Name 4-{{2-[BIS(2-CHLOROETHYL)AMINO]ETHYL}AMINO}-5-CHLOROQUINOLINE, DIHYDROCHLORIDE, SESQUIHYDRATE
Source of Sample R. Peck, Institute For Cancer Research, Philadelphia, Pennsylvania
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H46Cl10N6O3
InChI InChI=1S/2C15H18Cl3N3.4ClH.3H2O/c2*16-5-9-21(10-6-17)11-8-20-14-4-7-19-13-3-1-2-12(18)15(13)14;;;;;;;/h2*1-4,7H,5-6,8-11H2,(H,19,20);4*1H;3*1H2
InChIKey FRIIKJNUCZKEFL-UHFFFAOYSA-N
Literature Reference JACS 81, 3894(1959)
Molecular Weight 893.237000
Synonyms QUINOLINE, 5-CHLORO-4-/2-/BIS/2- CHLOROETHYL/AMINO/ETHYLAMINO/-, DIHYDROCHLORIDE, SESQUIHYDRATE
Technique KBr WAFER