RefChem:277852

tert-butyl-[2-hydroxy-3-[4-(3-oxobut-1-en-2-yloxy)phenoxy]propyl]azanium bromide

Also Known As: AC1L1SKQ|AC1Q1REO|RefChem:277852|AOOFTCZBYGSNOW-UHFFFAOYSA-N|(Z)-3-(4-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)phenoxy)-3-buten-2-one hydrobromide|3-Buten-2-one, 3-(4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenoxy)-, hydrobromide, (Z)-|n-tert-butyl-2-hydroxy-3-{4-[(3-oxobut-1-en-2-yl)oxy]phenoxy}propan-1-aminium bromide|tert-butyl-[2-hydroxy-3-[4-(3-oxobut-1-en-2-yloxy)phenoxy]propyl]azanium;bromide|tert-Butyl-[2-hydroxy-3-[4-(3-oxobut-1-en-2-yloxy)phenoxy]propyl]azaniumbromide|tert-butyl-[2-hydroxy-3-[4-(3-oxobut-1-en-2-yloxy)phenoxy]propyl]azanium|3-BUTEN-2-ONE, 3-(4-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)PHENOXY)-, HY|tert-butyl-[2-hydroxy-3-[4-(3-oxobut-1-en-2-yloxy)phenoxy]propyl]azanium bromide|tert-butyl-[2-hydroxy-3-[4-(3-oxobut-1-en-2-yloxy)phenoxy]propyl]azanium,bromide

Molecular Formula	C17H26BrNO4
Molecular Weight	387.10452 g/mol
LogP	-1.73
Topological Polar Surface Area	72.37 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	387.10452
Heavy Atoms	23
Complexity	508.3

Chemical Identifiers

CAS Number	106095-27-6
SMILES	CC(=O)C(=C)OC1=CC=C(C=C1)OCC(C[NH2+]C(C)(C)C)O.[Br-]