Sanshool

CAT: 1299-RM-S251000-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S251000-04Size:100 mg

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CAS Number

504-97-2

Synonyms

(2E,6Z,8E,10E) -1- (isobutyl-l2-azaneyl) dodeca-2,6,8,10-tetraen-1-one

Molecular Formula

C16H24NO

Molecular Weight

246.37

Target Alternative Name

Sanshool

Product Name Synonym

(2E,6Z,8E,10E) -1- (isobutyl-l2-azaneyl) dodeca-2,6,8,10-tetraen-1-one

Chemical Information

Sanshool

Alpha-Sanshool is a fatty amide.

CAS Number	504-97-2
PubChem CID	6440935
IUPAC Name	(2E,6Z,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide
Molecular Formula	C16H25NO
Molecular Weight	247.38
XLogP	4.2
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Heavy Atom Count	18
Formal Charge	0
Complexity	322

SMILES

C/C=C/C=C/C=C\CC/C=C/C(=O)NCC(C)C

InChI

InChI=1S/C16H25NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,17,18)/b5-4+,7-6+,9-8-,13-12+

InChIKey

SBXYHCVXUCYYJT-UEOYEZOQSA-N

Chemical Structure

2D Structure

CAS: 504-97-2

CID: 6440935

Formula: C16H25NO

MW: 247.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	247.38
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	8
Exact Mass	247.193614421
Monoisotopic Mass	247.193614421
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	322
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes