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113836-87-6 | 2,4,10-Dodecatrien-8-ynamide, N-(2-methylpropyl)-, (2E,4E,10E)-
CAS No: 113836-87-6 Catalog No: AG0009U8 MDL No:
Product Description
Catalog Number:
AG0009U8
Chemical Name:
2,4,10-Dodecatrien-8-ynamide, N-(2-methylpropyl)-, (2E,4E,10E)-
CAS Number:
113836-87-6
Molecular Formula:
C16H23NO
Molecular Weight:
245.3599
IUPAC Name:
N-(2-methylpropyl)dodeca-2,4,10-trien-8-ynamide
InChI:
InChI=1S/C16H23NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-5,10-13,15H,8-9,14H2,1-3H3,(H,17,18)
InChI Key:
NFFPFDVUIWBNTI-UHFFFAOYSA-N
SMILES:
C/C=C/C#CCC/C=C/C=C/C(=O)NCC(C)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.366g/mol
Monoisotopic Mass:
245.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Pharmacokinetics and immunomodulatory effects of phytotherapeutic lozenges (bonbons) with Echinacea purpurea extract. | Phytomedicine : international journal of phytotherapy and phytopharmacology 20080801 |
| Macrophage activating effects of new alkamides from the roots of Echinacea species. | Journal of natural products 20050501 |
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