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13894-69-4 | 2,4-Undecadiene-8,10-diynamide, N-(2-methylpropyl)-, (2Z,4E)-
CAS No: 13894-69-4 Catalog No: AG0019W9 MDL No:
Product Description
Catalog Number:
AG0019W9
Chemical Name:
2,4-Undecadiene-8,10-diynamide, N-(2-methylpropyl)-, (2Z,4E)-
CAS Number:
13894-69-4
Molecular Formula:
C15H19NO
Molecular Weight:
229.3175
IUPAC Name:
N-(2-methylpropyl)undeca-2,4-dien-8,10-diynamide
InChI:
InChI=1S/C15H19NO/c1-4-5-6-7-8-9-10-11-12-15(17)16-13-14(2)3/h1,9-12,14H,7-8,13H2,2-3H3,(H,16,17)
InChI Key:
PSAKYIJFKFCZFO-UHFFFAOYSA-N
SMILES:
C#CC#CCC/C=C/C=C\C(=O)NCC(C)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.323g/mol
Monoisotopic Mass:
229.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| High performance liquid chromatography/electrospray ionization mass spectrometry for simultaneous analysis of alkamides and caffeic acid derivatives from Echinacea purpurea extracts. | Journal of chromatography. A 20060127 |
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