Cas no 111690-58-5 (Morpholinium,2,6-bis(carboxymethyl)-4,4-dimethyl-, inner salt, cis- (9CI))

Morpholinium,2,6-bis(carboxymethyl)-4,4-dimethyl-, inner salt, cis- (9CI) structure
111690-58-5 structure
Product Name:Morpholinium,2,6-bis(carboxymethyl)-4,4-dimethyl-, inner salt, cis- (9CI)
CAS No:111690-58-5
MF:C10H17NO5
MW:231.245683431625
CID:198506
PubChem ID:3081011
Update Time:2025-04-19

Morpholinium,2,6-bis(carboxymethyl)-4,4-dimethyl-, inner salt, cis- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Morpholinium,2,6-bis(carboxymethyl)-4,4-dimethyl-, inner salt, cis- (9CI)
    • 2,6-bis(carboxymethyl)-4,4-dimethylmorpholinium
    • 2-[6-(carboxymethyl)-4,4-dimethylmorpholin-4-ium-2-yl]acetic acid
    • ACMC-20melk
    • AG-D-30257
    • AGN-PC-00OFKL
    • CTK4A7462
    • SureCN3361934
    • Morpholinium, 2,6-bis(carboxymethyl)-4,4-dimethyl-, hydroxide, inner salt, cis-
    • 111690-58-5
    • 2-[(2R,6S)-6-(carboxymethyl)-4,4-dimethylmorpholin-4-ium-2-yl]acetate
    • 2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium hydroxide, inner salt, cis-
    • CMDM
    • Inchi: 1S/C10H17NO5/c1-11(2)5-7(3-9(12)13)16-8(6-11)4-10(14)15/h7-8H,3-6H2,1-2H3,(H-,12,13,14,15)/t7-,8+
    • InChI Key: GOSQZULQAKPXLL-OCAPTIKFSA-N
    • SMILES: O1[C@H](CC(=O)[O-])C[N+](C)(C)C[C@@H]1CC(=O)O

Computed Properties

  • Exact Mass: 232.11800
  • Monoisotopic Mass: 231.11067264g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 283
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.3
  • Topological Polar Surface Area: 86.7?2

Experimental Properties

  • PSA: 83.83000
  • LogP: -0.26160
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