docosanamide

• ChemBase编号: 111733
• 分子式: C22H45NO
• 平均质量: 339.5988
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: docosanamide
• IUPAC传统名: behenamide
• 别名: C22 酰胺; 二十二酰胺; 山嵛酰胺; 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

登记号

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

理论计算性质

• Acid pKa: 16.88392
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 8.117052
• LogD (pH = 7.4): 8.117052
• Log P: 8.117052
• 摩尔折射率: 106.5118 cm^3
• 极化性: 42.50309 Å^3
• 极化表面积: 43.09 Å^2
• 可自由旋转的化学键: 20
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 110-113 °C
• 闪点: 100 °C; 212 °F

安全信息

• 德国WGK号: 1
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥98.0% (N)
• 级别: analytical standard; TECHNICAL
• 有效期: (limited shelf life, expiry date on the label )
• 线性分子式: CH3(CH2)20CONH2

详细说明

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.

参考文献

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