RefChem:167590

acetic acid;N-[2-[2-[2-cyanoethyl(octadecanoyl)amino]ethylamino]ethyl]octadecanamide

Also Known As: Octadecanamide, N-(2-cyanoethyl)-N-(2-((2-((1-oxooctadecyl)amino)ethyl)amino)ethyl)-, triacetate|Octadecanamide, N-(2-cyanoethyl)-N-(2-((2-((1-oxooctadecyl)amino)ethyl)amino)ethyl)-, acetate (1:3)|Octadecanamide, N-(2-cyanoethyl)-N-[2-[[2-[(1-oxooctadecyl)amino]ethyl]amino]ethyl]-, triacetate|acetic acid; N-[2-[2-[2-cyanoethyl(octadecanoyl)amino]ethylamino]ethyl]octadecanamide|Acetic acid--N-(2-cyanoethyl)-N-{2-[(2-octadecanamidoethyl)amino]ethyl}octadecanamide (3/1)|Octadecanamide, N-(2-cyanoethyl)-N-[2-[[2-[(1-oxooctadecyl)amino]ethyl]amino]ethyl]-, acetate (1:3)

Molecular Formula	C49H96N4O8
Molecular Weight	868.72284 g/mol
LogP	12.23
Topological Polar Surface Area	197.13 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	40
Exact Mass	868.72284
Heavy Atoms	61
Complexity	980.6

Chemical Identifiers

CAS Number	68025-17-2
SMILES	CCCCCCCCCCCCCCCCCC(=O)NCCNCCN(CCC#N)C(=O)CCCCCCCCCCCCCCCCC.CC(=O)O.CC(=O)O.CC(=O)O