Cas no 5972-71-4 (Butanedioic acid,2-hydroxy-, ammonium salt (1:1))

Butanedioic acid,2-hydroxy-, ammonium salt (1:1) structure
5972-71-4 structure
Product Name:Butanedioic acid,2-hydroxy-, ammonium salt (1:1)
CAS No:5972-71-4
MF:C4H9NO5
MW:151.117961645126
CID:368405
PubChem ID:6453845
Update Time:2025-04-19

Butanedioic acid,2-hydroxy-, ammonium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Butanedioic acid,2-hydroxy-, ammonium salt (1:1)
    • ammonium hydrogen malate
    • azanium,3,4-dihydroxy-4-oxobutanoate
    • 2-hydroxybutanedioic acid ammoniate
    • Ammonium bimalate
    • butanedioate, 2-hydroxy-, ammonium salt
    • EINECS 227-762-9
    • UNII-D3D13O0XBT
    • D3D13O0XBT
    • 5972-71-4
    • Inchi: 1S/C4H6O5.H3N/c5-2(4(8)9)1-3(6)7;/h2,5H,1H2,(H,6,7)(H,8,9);1H3
    • InChI Key: RMIOHTPMSWCRSO-UHFFFAOYSA-N
    • SMILES: OC(C(=O)O)CC(=O)[O-].[NH4+]

Computed Properties

  • Exact Mass: 151.04807
  • Monoisotopic Mass: 151.048072
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 123
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 98.7

Experimental Properties

  • Density: 1.15
  • Melting Point: 160-161°
  • Boiling Point: 273.1°C (rough estimate)
  • Flash Point: 153.4°C
  • Refractive Index: 1.4183 (estimate)
  • PSA: 134.16
  • Specific Rotation: D18 -6.4° (c = 6)
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