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113817-69-9 | 2,4-Dodecadiene-8,10-diynamide, N-(2-methylpropyl)-, (2E,4Z)-
CAS No: 113817-69-9 Catalog No: AG0009S1 MDL No:
Product Description
Catalog Number:
AG0009S1
Chemical Name:
2,4-Dodecadiene-8,10-diynamide, N-(2-methylpropyl)-, (2E,4Z)-
CAS Number:
113817-69-9
Molecular Formula:
C16H21NO
Molecular Weight:
243.3440
IUPAC Name:
N-(2-methylpropyl)dodeca-2,4-dien-8,10-diynamide
InChI:
InChI=1S/C16H21NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,8-9,14H2,1-3H3,(H,17,18)
InChI Key:
FOAKNWSNLWCNHO-UHFFFAOYSA-N
SMILES:
CC#CC#CCC/C=C\C=C\C(=O)NCC(C)C
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.35g/mol
Monoisotopic Mass:
243.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Macrophage activating effects of new alkamides from the roots of Echinacea species. | Journal of natural products 20050501 |
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