RefChem:1060504

2-(3-cyclohex-3-en-1-yl-3-hydroxy-2-phenylpropanoyl)oxyethyl-diethyl-methylazanium bromide

Also Known As: Diethyl(2-hydroxyethyl)methylammonium bromide alpha-phenyl-3-cyclohexene-1-hydracrylate|Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, alpha-phenyl-3-cyclohexene-1-hydracrylate|2-(3-cyclohex-3-en-1-yl-3-hydroxy-2-phenylpropanoyl)oxyethyl|2-(3-cyclohex-3-en-1-yl-3-hydroxy-2-phenylpropanoyl)oxyethyl-diethyl-methylazanium bromide|2-((3-(Cyclohex-3-en-1-yl)-3-hydroxy-2-phenylpropanoyl)oxy)-N,N-diethyl-N-methylethan-1-aminium bromide|2-{[3-(Cyclohex-3-en-1-yl)-3-hydroxy-2-phenylpropanoyl]oxy}-N,N-diethyl-N-methylethan-1-aminium bromide

Molecular Formula	C22H34BrNO3
Molecular Weight	439.1722 g/mol
LogP	0.521
Topological Polar Surface Area	46.5 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	10
Exact Mass	439.1722
Monoisotopic Mass	439.1722
Heavy Atoms	27
Complexity	452.0

Chemical Identifiers

CAS Number	7477-35-2
SMILES	CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2CCC=CC2)O.[Br-]
InChIKey	ROARVUHUQSUFIJ-UHFFFAOYSA-M