Cas no 13412-15-2 (Octadecanoic acid,1,1'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl] ester)

Octadecanoic acid,1,1'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl] ester structure
13412-15-2 structure
Product Name:Octadecanoic acid,1,1'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl] ester
CAS No:13412-15-2
MF:C42H83NO5
MW:682.112134218216
CID:119558
PubChem ID:3022391
Update Time:2025-04-18

Octadecanoic acid,1,1'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl] ester Chemical and Physical Properties

Names and Identifiers

    • Octadecanoic acid,1,1'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl] ester
    • triethanolamine distearate ester
    • Octadecanoicacid, [(2-hydroxyethyl)imino]di-2,1-ethanediyl ester (9CI)
    • Stearic acid, (2-hydroxyethylimino)diethyleneester (6CI)
    • Stearic acid, diester with 2,2',2''-nitrilotriethanol (7CI,8CI)
    • Ethanol, 2,2',2''-nitrilotri-, distearate (ester) (8CI)
    • N-(2-Hydroxyethyl)-N,N-bis(b-stearatoethyl)amine
    • Triethanolamine distearate
    • Octadecanoic acid,[(2-hydroxyethyl)imino]di-2,1-ethanediyl ester
    • 13412-15-2
    • SCHEMBL15650781
    • DTXSID101149424
    • Octadecanoic acid, 1,1'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl] ester
    • Inchi: 1S/C42H83NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)47-39-36-43(35-38-44)37-40-48-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44H,3-40H2,1-2H3
    • InChI Key: FMTQAFNXXHDQNT-UHFFFAOYSA-N
    • SMILES: O(CCN(CCO)CCOC(CCCCCCCCCCCCCCCCC)=O)C(CCCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 681.62749
  • Monoisotopic Mass: 681.62712475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 48
  • Rotatable Bond Count: 42
  • Complexity: 606
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 16.2
  • Topological Polar Surface Area: 76.1?2

Experimental Properties

  • PSA: 76.07

Octadecanoic acid,1,1'-[[(2-hydroxyethyl)imino]di-2,1-ethanediyl] ester Related Literature

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