Cas no 21539-72-0 (b-Alanine,N-methyl-N-(1-oxotetradecyl)-, sodium salt (1:1))

b-Alanine,N-methyl-N-(1-oxotetradecyl)-, sodium salt (1:1) structure
21539-72-0 structure
Product Name:b-Alanine,N-methyl-N-(1-oxotetradecyl)-, sodium salt (1:1)
CAS No:21539-72-0
MF:C18H34NNaO3
MW:335.457236766815
CID:272308
PubChem ID:23677776
Update Time:2025-04-19

b-Alanine,N-methyl-N-(1-oxotetradecyl)-, sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • b-Alanine,N-methyl-N-(1-oxotetradecyl)-, sodium salt (1:1)
    • sodium,3-[methyl(tetradecanoyl)amino]propanoate
    • beta-Alanine, N-methyl-N-(1-oxotetradecyl)-, sodium salt
    • Sodium N-methyl-N-(1-oxotetradecyl)-beta-alaninate
    • SODIUM MYRISTOYL METHYL .BETA.-ALANINE
    • DTXSID70944149
    • sodium;3-[methyl(tetradecanoyl)amino]propanoate
    • .BETA.-ALANINE, N-METHYL-N-(1-OXOTETRADECYL)-, SODIUM SALT (1:1)
    • UNII-7ZJP653DIN
    • N-MYRISTOYL-N-METHYL-.BETA.-ALANINE SODIUM SALT
    • Sodium myristoyl methyl beta-alanine
    • .BETA.-ALANINE, N-METHYL-N-MYRISTOYL-, SODIUM SAL
    • Sodium 3-[methyl(tetradecanoyl)amino]propanoate
    • Q27269069
    • EMALEX AME
    • SCHEMBL532440
    • .BETA.-ALANINE, N-METHYL-N-(1-OXOTETRADECYL)-, SODIUM SALT
    • SODIUM MYRISTOYL METHYL BETA-ALANINE [INCI]
    • SODIUM N-MYRISTOYL-N-METHYL-.BETA.-ALANINATE
    • 21539-72-0
    • 7ZJP653DIN
    • EINECS 244-430-9
    • NS00050318
    • Inchi: 1S/C18H35NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)19(2)16-15-18(21)22;/h3-16H2,1-2H3,(H,21,22);/q;+1/p-1
    • InChI Key: ISONEALTCIBOKV-UHFFFAOYSA-M
    • SMILES: [Na+].O=C(CCCCCCCCCCCCC)N(C)CCC(=O)[O-]

Computed Properties

  • Exact Mass: 335.24363823g/mol
  • Monoisotopic Mass: 335.24363823g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 15
  • Complexity: 298
  • 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: 60.4?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
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