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13220-67-2 | Octadecanamide, N-[2-(diethylamino)ethyl]-, acetate (1:1)
CAS No: 13220-67-2 Catalog No: AG0010E3 MDL No:
Product Description
Catalog Number:
AG0010E3
Chemical Name:
Octadecanamide, N-[2-(diethylamino)ethyl]-, acetate (1:1)
CAS Number:
13220-67-2
Molecular Formula:
C26H54N2O3
Molecular Weight:
442.7186
IUPAC Name:
acetic acid;N-[2-(diethylamino)ethyl]octadecanamide
InChI:
InChI=1S/C24H50N2O.C2H4O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26(5-2)6-3;1-2(3)4/h4-23H2,1-3H3,(H,25,27);1H3,(H,3,4)
InChI Key:
AUIHGOYKJPLJLZ-UHFFFAOYSA-N
SMILES:
CC(=O)O.CCCCCCCCCCCCCCCCCC(=O)NCCN(CC)CC
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.413g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
442.729g/mol
Monoisotopic Mass:
442.413g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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