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124029-68-1 | 1-Octadecanamine, N-octadecylidene-, N-oxide
CAS No: 124029-68-1 Catalog No: AG000LF7 MDL No:
Product Description
Catalog Number:
AG000LF7
Chemical Name:
1-Octadecanamine, N-octadecylidene-, N-oxide
CAS Number:
124029-68-1
Molecular Formula:
C36H73NO
Molecular Weight:
535.9709
IUPAC Name:
N-octadecyloctadecan-1-imine oxide
InChI:
InChI=1S/C36H73NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,36H2,1-2H3
InChI Key:
HORBOHJHQGXXOR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC[N+](=CCCCCCCCCCCCCCCCCC)[O-]
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
535.569g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
535.986g/mol
Monoisotopic Mass:
535.569g/mol
Rotatable Bond Count:
33
Topological Polar Surface Area:
28.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
16.5
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