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10094-45-8 | 13-Docosenamide, N-octadecyl-, (13Z)-
CAS No: 10094-45-8 Catalog No: AG00039O MDL No:
Product Description
Catalog Number:
AG00039O
Chemical Name:
13-Docosenamide, N-octadecyl-, (13Z)-
CAS Number:
10094-45-8
Molecular Formula:
C40H79NO
Molecular Weight:
590.0614
IUPAC Name:
(Z)-N-octadecyldocos-13-enamide
InChI:
InChI=1S/C40H79NO/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(42)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-39H2,1-2H3,(H,41,42)/b19-17-
InChI Key:
FUSNPOOETKRESL-ZPHPHTNESA-N
SMILES:
CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
EC Number:
233-226-5
UNII:
J5IF4W9060
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
589.616g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
590.078g/mol
Monoisotopic Mass:
589.616g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
18
Literature
| Title | Journal |
|---|---|
| Role of hydrogen bonds in controlling the morphology of self-assembling carbamate systems. | The journal of physical chemistry. B 20050127 |
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