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25151-31-9 | Hexanediamide, N1,N6-dioctadecyl-
CAS No: 25151-31-9 Catalog No: AG002QO0 MDL No:
Product Description
Catalog Number:
AG002QO0
Chemical Name:
Hexanediamide, N1,N6-dioctadecyl-
CAS Number:
25151-31-9
Molecular Formula:
C42H84N2O2
Molecular Weight:
649.1286
IUPAC Name:
N,N'-dioctadecylhexanediamide
InChI:
InChI=1S/C42H84N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43-41(45)37-33-34-38-42(46)44-40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,43,45)(H,44,46)
InChI Key:
QIJSQGXDFAYEAF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCNC(=O)CCCCC(=O)NCCCCCCCCCCCCCCCCCC
EC Number:
246-663-1
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
648.653g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
649.146g/mol
Monoisotopic Mass:
648.653g/mol
Rotatable Bond Count:
39
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
17.1
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