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Capsaicin

CAT: 0607-C6366-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-C6366-50Size:50 mg
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CAS Number
404-86-4
Product Name Alternative
(E) -N- (4-hydroxy-3-methoxybenzyl) -8-methylnon-6-enamide
Synonyms
(E) -Capsaicin
Purity
0.9972
Solubility
≥49.4 mg/mL in DMSO; ≥49.4 mg/mL in EtOH; insoluble in H2O
Smiles
COC1=CC (CNC (CCCC/C=C/C (C) C) =O) =CC=C1O
Molecular Formula
C18H27NO3
Molecular Weight
305.41
Storage Conditions
Store at -20°C

Chemical Information

Capsaicin

Capsaicin is a capsaicinoid. It has a role as a TRPV1 agonist, a non-narcotic analgesic and a voltage-gated sodium channel blocker.

CAS Number404-86-4
PubChem CID1548943
IUPAC Name(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
Molecular FormulaC18H27NO3
Molecular Weight305.4
XLogP3.6
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count22
Formal Charge0
Complexity341
SMILES
CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI
InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
InChIKey
YKPUWZUDDOIDPM-SOFGYWHQSA-N
Chemical Structure
2D Structure
2D structure of Capsaicin
CAS: 404-86-4
CID: 1548943
Formula: C18H27NO3
MW: 305.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass305.19909372
Monoisotopic Mass305.19909372
Topological Polar Surface Area58.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity341
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TB0818-0025Capsaicin
XC180968-01Trans-Capsaicin

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