Cas no 17671-52-2 (Betaine, tartrate)

Betaine, tartrate structure
Betaine, tartrate structure
Product Name:Betaine, tartrate
CAS No:17671-52-2
MF:C9H17NO8
MW:267.23318362236
CID:208799
Update Time:2024-01-26

Betaine, tartrate Chemical and Physical Properties

Names and Identifiers

    • Betaine, tartrate
    • carboxy-N,N,N-trimethylmethanaminium (2S,3S)-3-carboxy-2,3-dihydroxypropanoate
    • Einecs 241-649-1
    • betaine tartrate
    • Betaine tartarate
    • Carboxylatomethyltrimethylaminium/tartaric acid,(1:x)
    • Inchi: 1S/C5H11NO2.C4H6O6/c1-6(2,3)4-5(7)8;5-1(3(7)8)2(6)4(9)10/h4H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)
    • InChI Key: LKAOQCIAIYQGFG-UHFFFAOYSA-N
    • SMILES: [O-]C(C[N+](C)(C)C)=O.C(O)(=O)C(C(C(O)=O)O)O

Computed Properties

  • Exact Mass: 267.09541
  • Monoisotopic Mass: 267.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 239
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0

Experimental Properties

  • Boiling Point: 399.3°Cat760mmHg
  • Flash Point: 209.4°C
  • PSA: 155.19
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