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99952-27-9 | Octadecanamide, N,N'-1,12-dodecanediylbis-
CAS No: 99952-27-9 Catalog No: AG003VOH MDL No:
Product Description
Catalog Number:
AG003VOH
Chemical Name:
Octadecanamide, N,N'-1,12-dodecanediylbis-
CAS Number:
99952-27-9
Molecular Formula:
C48H96N2O2
Molecular Weight:
733.2880
IUPAC Name:
N-[12-(octadecanoylamino)dodecyl]octadecanamide
InChI:
InChI=1S/C48H96N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-35-39-43-47(51)49-45-41-37-33-29-25-26-30-34-38-42-46-50-48(52)44-40-36-32-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3,(H,49,51)(H,50,52)
InChI Key:
YFJMJBVMOJBWNX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC
Properties
Complexity:
638
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
732.747g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
733.308g/mol
Monoisotopic Mass:
732.747g/mol
Rotatable Bond Count:
45
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
20.4
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