N-(2-hydroxyethyl)icosa-5,8,11-trienamide

• ChemBase ID: 153583
• Molecular Formular: C22H39NO2
• Molecular Mass: 349.55056
• Monoisotopic Mass: 349.29807949
• SMILES: CCCCCCCC/C=C/C/C=C/C/C=C/CCCC(=O)NCCO
• Canonical SMILES: CCCCCCCC/C=C/C/C=C/C/C=C/CCCC(=O)NCCO
• InChI: InChI=1S/C22H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h9-10,12-13,15-16,24H,2-8,11,14,17-21H2,1H3,(H,23,25)
• InChIKey: YKGQBEGMUSSPFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)icosa-5,8,11-trienamide
• IUPAC Traditional name: N-(2-hydroxyethyl)icosa-5,8,11-trienamide
• Synonyms: Mead acid ethanolamide; N-(2-Hydroxyethyl)-(Z,Z,Z)-5,8,11-eicosatrienoic Acid

Database IDs

• CAS Number: 169232-04-6
• MDL Number: MFCD01317814
• PubChem SID: 162247722
• PubChem CID: 5353746

CALCULATED PROPERTIES

• Acid pKa: 15.4353
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 5.675723
• LogD (pH = 7.4): 5.675724
• Log P: 5.675724
• Molar Refractivity: 111.8486 cm^3
• Polarizability: 42.38215 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 14 °C; 57 °F

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1170
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 7-16
• RID/ADR: UN 1170 3/PG 2
• Storage Temperature: -20°C

Product Information

• Purity: >98%
• Concentration: 10 mg/mL in ethanol
• Empirical Formula (Hill Notation): C22H39NO2

DETAILS

Sigma Aldrich - M2564

Biochem/physiol Actions
Agonist for CB1 and CB2 cannabinoid receptors.