C27H52N3O2.C2H5O4S

2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-(octadec-9-enoylamino)ethyl]azanium;ethyl sulfate

Also Known As: N-Oleylamidoethyl-N-cyanoethyl-N-ethyl-N-ethanol ammonium ethosulfate|Ethanaminium, N-(2-cyanoethyl)-N-ethyl-N-(2-hydroxyethyl)-2-(((9Z)-1-oxo-9-octadecen-1-yl)amino)-, ethyl sulfate (1:1)|Ethanaminium, N-(2-cyanoethyl)-N-ethyl-N-(2-hydroxyethyl)-2-(((9Z)-1-oxo-9-octadecenyl)amino)-, ethyl sulfate (salt)|Ethanaminium, N-(2-cyanoethyl)-N-ethyl-N-(2-hydroxyethyl)-2-[(1-oxo-9-octadecenyl)amino]-, (Z)-, ethyl sulfate (salt)|Ethanaminium, N-(2-cyanoethyl)-N-ethyl-N-(2-hydroxyethyl)-2-[[(9Z)-1-oxo-9-octadecenyl]amino]-, ethyl sulfate (salt)

Molecular Formula	C29H57N3O6S
Molecular Weight	575.3968 g/mol
LogP	5.37
Topological Polar Surface Area	139.55 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	25
Exact Mass	575.3968
Heavy Atoms	39
Complexity	739.8

Chemical Identifiers

CAS Number	67633-73-2
SMILES	CCCCCCCCC=CCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCO.CCOS(=O)(=O)[O-]