Cas no 49719-60-0 (2-(bis(2-hydroxyethyl)amino)ethanol; hexadecanoic acid)

2-(bis(2-hydroxyethyl)amino)ethanol; hexadecanoic acid structure
49719-60-0 structure
Product Name:2-(bis(2-hydroxyethyl)amino)ethanol; hexadecanoic acid
CAS No:49719-60-0
MF:C22H47NO5
MW:405.612287759781
CID:330150
Update Time:2026-05-14

2-(bis(2-hydroxyethyl)amino)ethanol; hexadecanoic acid Chemical and Physical Properties

Names and Identifiers

    • Hexadecanoic acid - 2,2',2''-nitrilotriethanol (1:1)
    • Hexadecanoic acid - 2,2\',2\'\'-nitrilotriethanol (1:1)
    • 2-(bis(2-hydroxyethyl)amino)ethanol
    • hexadecanoic acid
    • 2-(bis(2-hydroxyethyl)amino)ethanol; hexadecanoic acid
    • Inchi: InChI=1S/C16H32O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;8-4-1-7(2-5-9)3-6-10/h2-15H2,1H3,(H,17,18);8-10H,1-6H2
    • InChI Key: WYVGZXIHGGQSQN-UHFFFAOYSA-N
    • SMILES: C(O)(=O)CCCCCCCCCCCCCCC.OCCN(CCO)CCO

Computed Properties

  • Exact Mass: 405.345
  • Monoisotopic Mass: 405.345
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 20
  • Complexity: 234
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 101A^2

Experimental Properties

  • Boiling Point: 340.6°Cat760mmHg
  • Flash Point: 154.1°C
  • PSA: 101.23000
  • LogP: 3.81760
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