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79692-26-5 | N-(3-DIMETHYLAMINOPROPYL)-N-[9-(3-DIMETHYLAMINOPROPYL-HEXADECANOYL-AMINO)NONYL]HEXADECANAMIDE
CAS No: 79692-26-5 Catalog No: AG005IMQ MDL No:
Product Description
Catalog Number:
AG005IMQ
Chemical Name:
N-(3-DIMETHYLAMINOPROPYL)-N-[9-(3-DIMETHYLAMINOPROPYL-HEXADECANOYL-AMINO)NONYL]HEXADECANAMIDE
CAS Number:
79692-26-5
Molecular Formula:
C51H104N4O2
Molecular Weight:
805.3971
IUPAC Name:
N-[3-(dimethylamino)propyl]-N-[9-[3-(dimethylamino)propyl-hexadecanoylamino]nonyl]hexadecanamide
InChI:
InChI=1S/C51H104N4O2/c1-7-9-11-13-15-17-19-21-23-25-28-32-36-42-50(56)54(48-40-44-52(3)4)46-38-34-30-27-31-35-39-47-55(49-41-45-53(5)6)51(57)43-37-33-29-26-24-22-20-18-16-14-12-10-8-2/h7-49H2,1-6H3
InChI Key:
CEWHMUZULRBIEZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)N(CCCN(C)C)CCCCCCCCCN(C(=O)CCCCCCCCCCCCCCC)CCCN(C)C
NSC Number:
261043
Properties
Complexity:
768
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
804.816g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
805.419g/mol
Monoisotopic Mass:
804.816g/mol
Rotatable Bond Count:
46
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.7
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