Sanshool
Basic information
- CAS
504-97-2- Standard SMILES
C/C=C/C=C/C=C\CC/C=C/C(=O)NCC(C)C- InChIKey
SBXYHCVXUCYYJT-UEOYEZOQSA-N- Molecular formula
- C16H25NO
- Average molar mass
- 247.38 g/mol
- Monoisotopic mass
- 247.19361442
Overview
Alpha-Sanshool is a fatty amide.
Names & identifiers
- Preferred name
- Sanshool
- IUPAC
- (2E,6Z,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamide
- English name
- Sanshool
- Molecular formula
- C16H25NO
- Molecular weight
- 247.38
Names & synonyms
alpha-SanshoolSanshool504-97-2(2E,6Z,8E,10E)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamideYB7LBG97PXNeoherculinDTXSID6013191432,6,8,10-Dodecatetraenamide, N-(2-methylpropyl)-, (E,E,Z,E)-RefChem:181197(2E,6Z,8E,10Z)-N-(2-methylpropyl)dodeca-2,6,8,10-tetraenamideDTXCID001748572Echinacein
Show more names
α-SanshoolZanthoxylum bungeanumZanthoxylum bungeanum MaximsanshoaMides
(2E,6Z,8E,10E)-N-Isobutyldodeca-2,6,8,10-tetraenamideEchinaceineNeoherculinealpha-Sanshooel(E,E,Z,E)-N-(2-Methylpropyl)-2,6,8,10-dodecatetraenamideUNII-YB7LBG97PXorb1909191SCHEMBL1030320
Database identifiers
- CAS
504-97-2- PubChem CID
- 6440935
- DTXSID
DTXSID601319143- ChEBI
CHEBI:80920- UNII
- YB7LBG97PX
- Nikkaji
- J674.640C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 63 · 63-65 °C
- Boiling point
- 423.5 · 423.5±38.0 °C(Predicted)
- Density
- 0.904 · 0.904±0.06 g/cm3(Predicted)
- pka
- 15.06 · 15.06±0.46(Predicted)
- 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
- SMILES
- C(NCC(C)C)(=O)/C=C/CC/C=C\C=C\C=C\C
- FDA UNII
- 7 LBG97PX · YB7LBG97PX
Chemistry & industry
Applications
UsesSanshool has various physiological functions, such as anesthesia, stimulation, antibacterial, wind-dispelling and dampness-removing, insecticidal, and analgesic effects. It will be increasingly widely used in food, medicine, and cosmetics.
Additional notes
DefinitionChEBI: Alpha-Sanshool is a fatty amide.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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