Hemicholinium mustard

4-(2-bromoethyl)-2-[4-[4-[4-(2-bromoethyl)-2-hydroxymorpholin-2-yl]phenyl]phenyl]morpholin-2-ol

Also Known As: hemicholinium mustard|GTPL5502|2-Morpholinol, 2,2'-[1,1'-biphenyl]-4,4'-diylbis[4-(2-bromoethyl)-|2,2'-([1,1'-Biphenyl]-4,4'-diyl)bis[4-(2-bromoethyl)morpholin-2-ol]|4-(2-bromoethyl)-2-[4-[4-[4-(2-bromoethyl)-2-hydroxymorpholin-2-yl]phenyl]phenyl]morpholin-2-ol|2,2 -(1,1 -Biphenyl-4,4 -diyl)bis[4-(2-bromoethyl)morpholin-2-ol]|4-(2-bromoethyl)-2-(4-{4-[4-(2-bromoethyl)-2-hydroxymorpholin-2-yl]phenyl}phenyl)morpholin-2-ol|4-(2-bromoethyl)-2-[4-[4-[4-(2-bromoethyl)-2-hydroxy-morpholin-2-yl]phenyl]phenyl]morpholin-2-ol|4-(2-bromoethyl)-2-{4'-[4-(2-bromoethyl)-2-hydroxymorpholin-2-yl]-[1,1'-biphenyl]-4-yl}morpholin-2-ol|HCM

Molecular Formula	C24H30Br2N2O4
Molecular Weight	568.05725 g/mol
LogP	2.5
Topological Polar Surface Area	65.4 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	568.05725
Monoisotopic Mass	568.05725
Heavy Atoms	32
Complexity	536.0

Chemical Identifiers

CAS Number	83291-91-2
SMILES	C1COC(CN1CCBr)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(CN(CCO4)CCBr)O)O
InChIKey	DEHLWSSPVQFNBM-UHFFFAOYSA-N