RefChem:186644

N-[2-[2-cyanoethyl-[2-(docosanoylamino)ethyl]amino]ethyl]docosanamide;diethyl sulfate

Also Known As: EINECS 274-752-5|N,N''-Didocosanoyl-N'-cyanoethyldiethylenetriamine, diethyl sulfate salt|Sulfuric acid, diethyl ester, compd. with N,N'-[[(2-cyanoethyl)imino]di-2,1-ethanediyl]bis[docosanamide] (1:1)|diethyl sulfate- n,n'-{[(2-cyanoethyl)imino]diethane-2,1-diyl}didocosanamide(1:1)|N,N''-Didocosanoyl-N'-cyanoethyldiethylenetriamine, diethyl sulfatesalt|Sulfuric acid, diethyl ester, compd. with N,N'-(((2-cyanoethyl)imino)di-2,1-ethanediyl)bis(docosanamide) (1:1)|Diethyl sulfate--N,N'-{[(2-cyanoethyl)azanediyl]di(ethane-2,1-diyl)}didocosanamide (1/1)|N-[2-[2-cyanoethyl-[2-(docosanoylamino)ethyl]amino]ethyl]docosanamide; diethyl sulfate|Diethyl sulphate, compound with N,N'-(((2-cyanoethyl)imino)diethylene)bis(docosanamide) (1:1)

Molecular Formula	C55H110N4O6S
Molecular Weight	954.81464 g/mol
LogP	15.38
Topological Polar Surface Area	137.83 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	52
Exact Mass	954.81464
Heavy Atoms	66
Complexity	1078.8

Chemical Identifiers

CAS Number	70682-71-2
SMILES	CCCCCCCCCCCCCCCCCCCCCC(=O)NCCN(CCC#N)CCNC(=O)CCCCCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)OCC