(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenamide

• ChemBase ID: 131795
• Molecular Formular: C20H33NO
• Molecular Mass: 303.48212
• Monoisotopic Mass: 303.25621468
• SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N
• Canonical SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N
• InChI: InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H2,21,22)/b7-6-,10-9-,13-12-,16-15-
• InChIKey: BNBSCAZCQDLUDU-DOFZRALJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenamide
• IUPAC Traditional name: arachidonoylamide
• Synonyms: 5,8,11,14-Eicosatetraenamide; Arachidonamide

Database IDs

• CAS Number: 85146-53-8
• MDL Number: MFCD00058606
• PubChem SID: 162226072
• PubChem CID: 5283393

CALCULATED PROPERTIES

• Acid pKa: 16.752108
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.7802277
• LogD (pH = 7.4): 5.780228
• Log P: 5.780228
• Molar Refractivity: 101.7762 cm^3
• Polarizability: 37.874607 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: low-melting solid

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Concentration: 10 mg/mL in ethanol