Hydroxy-γ-sanshool

CAT: 0926-DDA88666-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-DDA88666-01Size:1 mg

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CAS Number

78886-66-5

Smiles

CC=CC=CC=CCCC=CC=CC (=O) NCC (C) (C) O

Molecular Formula

C18H27NO2

Molecular Weight

289.4 g/mol

Controlled

Chemical Information

Hydroxy-Gamma-Sanshool

Hydroxy-gamma-sanshool is a fatty amide.

CAS Number	78886-66-5
PubChem CID	14135317
IUPAC Name	(2E,4E,8Z,10E,12E)-N-(2-hydroxy-2-methylpropyl)tetradeca-2,4,8,10,12-pentaenamide
Molecular Formula	C18H27NO2
Molecular Weight	289.4
XLogP	3.5
Topological Polar Surface Area	49.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Heavy Atom Count	21
Formal Charge	0
Complexity	426

SMILES

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

InChI

InChI=1S/C18H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h4-9,12-15,21H,10-11,16H2,1-3H3,(H,19,20)/b5-4+,7-6+,9-8-,13-12+,15-14+

InChIKey

CRPPMKFSMRODIQ-JDXPBYPHSA-N

Chemical Structure

2D Structure

CAS: 78886-66-5

CID: 14135317

Formula: C18H27NO2

MW: 289.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	289.4
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	289.204179104
Monoisotopic Mass	289.204179104
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	426
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	5
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes