Achilleamide

CAT: 0013-GTR19260041-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19260041-01Size:25 mg

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Description

Achilleamide

CAS Number

42997-42-2

Purity

>98% (HPLC)

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Chemical Information

Neopellitorine B

(2E,4E)-1-(piperidin-1-yl)deca-2,4-dien-1-one has been reported in Achillea asiatica, Artemisia dracunculus, and other organisms with data available.

CAS Number	42997-42-2
PubChem CID	11118018
IUPAC Name	(2E,4E)-1-piperidin-1-yldeca-2,4-dien-1-one
Molecular Formula	C15H25NO
Molecular Weight	235.36
XLogP	4.1
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Heavy Atom Count	17
Formal Charge	0
Complexity	262

SMILES

CCCCC/C=C/C=C/C(=O)N1CCCCC1

InChI

InChI=1S/C15H25NO/c1-2-3-4-5-6-7-9-12-15(17)16-13-10-8-11-14-16/h6-7,9,12H,2-5,8,10-11,13-14H2,1H3/b7-6+,12-9+

InChIKey

ZPSGREUUQGTKDE-ZICOIJLXSA-N

Chemical Structure

2D Structure

CAS: 42997-42-2

CID: 11118018

Formula: C15H25NO

MW: 235.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.36
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	235.193614421
Monoisotopic Mass	235.193614421
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	262
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
M39342	Achilleamide