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139446-83-6 | Nonanamide, N-[(3,4-dihydroxyphenyl)methyl]-
CAS No: 139446-83-6 Catalog No: AG001B21 MDL No:
Product Description
Catalog Number:
AG001B21
Chemical Name:
Nonanamide, N-[(3,4-dihydroxyphenyl)methyl]-
CAS Number:
139446-83-6
Molecular Formula:
C16H25NO3
Molecular Weight:
279.3746
IUPAC Name:
N-[(3,4-dihydroxyphenyl)methyl]nonanamide
InChI:
InChI=1S/C16H25NO3/c1-2-3-4-5-6-7-8-16(20)17-12-13-9-10-14(18)15(19)11-13/h9-11,18-19H,2-8,12H2,1H3,(H,17,20)
InChI Key:
DKCRHJNXOWAVBU-UHFFFAOYSA-N
SMILES:
CCCCCCCCC(=O)NCc1ccc(c(c1)O)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.183g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
279.38g/mol
Monoisotopic Mass:
279.183g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Structure-activity relationship of capsaicin analogs and transient receptor potential vanilloid 1-mediated human lung epithelial cell toxicity. | The Journal of pharmacology and experimental therapeutics 20110501 |
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