docosanamide

• ChemBase ID: 111733
• Molecular Formular: C22H45NO
• Molecular Mass: 339.5988
• Monoisotopic Mass: 339.35011507
• SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)N
• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)N
• InChI: InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H2,23,24)
• InChIKey: ORAWFNKFUWGRJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: docosanamide
• IUPAC Traditional name: behenamide
• Synonyms: BEHENIC AMIDE TECHNICAL GRADE; Amide C22; Docosanamide; Behenamide; Diamid BL; Diamid BM; Alflow B 10; BNT; BNT 11; BNT 22; BNT 22H; Behenamide; Behenic Acid Amide; Behenic Amide; Behenylamide; Crodamide BR; Denon LS 8; Diamid B 45; Diamid B 90; Finawax B; Finawax BR; Incroslip B; Kemamide B; Lutamide BR; Behenamide; C22 酰胺; 二十二酰胺; 山嵛酰胺

Database IDs

• CAS Number: 3061-75-4
• EC Number: 221-304-1
• MDL Number: MFCD00047905
• Beilstein Number: 1792886
• PubChem SID: 24850254; 162097098
• PubChem CID: 76468

CALCULATED PROPERTIES

• Acid pKa: 16.88392
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 8.117052
• LogD (pH = 7.4): 8.117052
• Log P: 8.117052
• Molar Refractivity: 106.5118 cm^3
• Polarizability: 42.50309 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 110-113 °C
• Flash Point: 100 °C; 212 °F

Safety Information

• German water hazard class: 1
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (N)
• Grade: analytical standard; TECHNICAL
• Shelf Life: (limited shelf life, expiry date on the label )
• Linear Formula: CH3(CH2)20CONH2

DETAILS

Sigma Aldrich - 16879

Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 16879.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Toronto Research Chemicals - B131150

Behenamide is a fatty acid amide as an angiogenic. The mechanism of angiogenic activity is unknown and this lipid does not promote proliferation of endothelial cells or induce inflammatory effects.

REFERENCES

• Wakamatsu, K., et al.: Biochem. Biophysical Res. Comm., 168, 423 (1990)