Cas no 85414-22-8 (sodium 1-methyl-5-oxopyrrolidine-3-carboxylate)

sodium 1-methyl-5-oxopyrrolidine-3-carboxylate structure
85414-22-8 structure
Product Name:sodium 1-methyl-5-oxopyrrolidine-3-carboxylate
CAS No:85414-22-8
MF:C6H8NNaO3
MW:165.122392654419
CID:990462
PubChem ID:23695988
Update Time:2025-04-20

sodium 1-methyl-5-oxopyrrolidine-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • sodium 1-methyl-5-oxopyrrolidine-3-carboxylate
    • DTXSID501005921
    • NS00092376
    • EINECS 287-192-1
    • 85414-22-8
    • sodium;1-methyl-5-oxopyrrolidine-3-carboxylate
    • 3-Pyrrolidinecarboxylic acid, 1-methyl-5-oxo-, sodium salt
    • Sodium 1-methyl-5-oxo-3-pyrrolidinecarboxylate
    • SCHEMBL10926154
    • Sodium N-methyl-2-pyrrolidone-4-carboxylate
    • MLQPRLORQXODET-UHFFFAOYSA-M
    • Inchi: 1S/C6H9NO3.Na/c1-7-3-4(6(9)10)2-5(7)8;/h4H,2-3H2,1H3,(H,9,10);/q;+1/p-1
    • InChI Key: MLQPRLORQXODET-UHFFFAOYSA-M
    • SMILES: [Na+].O=C1CC(C(=O)[O-])CN1C

Computed Properties

  • Exact Mass: 165.040188
  • Monoisotopic Mass: 165.040188
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 183
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 60.4

Experimental Properties

  • Boiling Point: 361.7°C at 760 mmHg
  • Flash Point: 172.5°C
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