Cas no 95649-84-6 (Dodecanoic acid, 2-[(carboxymethyl)(2-hydroxyethyl)amino]-)

Dodecanoic acid, 2-[(carboxymethyl)(2-hydroxyethyl)amino]- structure
95649-84-6 structure
Product Name:Dodecanoic acid, 2-[(carboxymethyl)(2-hydroxyethyl)amino]-
CAS No:95649-84-6
MF:C16H31NO5
MW:317.421045541763
CID:734933
PubChem ID:71331025
Update Time:2025-04-19

Dodecanoic acid, 2-[(carboxymethyl)(2-hydroxyethyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • Dodecanoic acid, 2-[(carboxymethyl)(2-hydroxyethyl)amino]-
    • 2-[carboxymethyl(2-hydroxyethyl)amino]dodecanoic acid
    • DTXSID90759651
    • 95649-84-6
    • 2-[(CARBOXYMETHYL)(2-HYDROXYETHYL)AMINO]DODECANOIC ACID
    • Inchi: 1S/C16H31NO5/c1-2-3-4-5-6-7-8-9-10-14(16(21)22)17(11-12-18)13-15(19)20/h14,18H,2-13H2,1H3,(H,19,20)(H,21,22)
    • InChI Key: DGZSYVQSYACWNM-UHFFFAOYSA-N
    • SMILES: OC(C(CCCCCCCCCC)N(CC(=O)O)CCO)=O

Computed Properties

  • Exact Mass: 317.22022309g/mol
  • Monoisotopic Mass: 317.22022309g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 15
  • Complexity: 309
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 98.1?2
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