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1,1'-{5-[bis(2-chloroethyl)amino]-m-phenylene}diurea
SpectraBase Compound ID LYcEKiWYfse
InChI InChI=1S/C12H17Cl2N5O2/c13-1-3-19(4-2-14)10-6-8(17-11(15)20)5-9(7-10)18-12(16)21/h5-7H,1-4H2,(H3,15,17,20)(H3,16,18,21)
InChIKey FKEKQWMSUGGZTG-UHFFFAOYSA-N
Mol Weight 334.21 g/mol
Molecular Formula C12H17Cl2N5O2
Exact Mass 333.07593 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 44hVDr7EHII
Name 1,1'-{5-[BIS(2-CHLOROETHYL)AMINO]-m-PHENYLENE}DIUREA
Source of Sample G. H. Denny, Merck & Company, Inc., Rahway, New Jersey
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17Cl2N5O2
InChI InChI=1S/C12H17Cl2N5O2/c13-1-3-19(4-2-14)10-6-8(17-11(15)20)5-9(7-10)18-12(16)21/h5-7H,1-4H2,(H3,15,17,20)(H3,16,18,21)
InChIKey FKEKQWMSUGGZTG-UHFFFAOYSA-N
Literature Reference J. MED. CHEM. 19, 426(1976)
Melting Point 190-195C (softens)
Molecular Weight 334.200989
Synonyms UREA, 1,1*-/5-/BIS/2-CHLOROETHYL/- AMINO/-M-PHENYLENE/DI-,
Technique KBr WAFER