Cas no 687998-39-6 (ethyl (2S)-2,4-diaminobutanoate)

ethyl (2S)-2,4-diaminobutanoate structure
687998-39-6 structure
Product Name:ethyl (2S)-2,4-diaminobutanoate
CAS No:687998-39-6
MF:C6H14N2O2
MW:146.187561511993
CID:6644843
PubChem ID:12988385
Update Time:2024-03-08

ethyl (2S)-2,4-diaminobutanoate Chemical and Physical Properties

Names and Identifiers

    • AKOS006361231
    • EN300-7638095
    • ethyl (2S)-2,4-diaminobutanoate
    • 687998-39-6
    • Inchi: 1S/C6H14N2O2/c1-2-10-6(9)5(8)3-4-7/h5H,2-4,7-8H2,1H3/t5-/m0/s1
    • InChI Key: KKTHQDOMUYGOAS-YFKPBYRVSA-N
    • SMILES: O(CC)C([C@H](CCN)N)=O

Computed Properties

  • Exact Mass: 146.105527694g/mol
  • Monoisotopic Mass: 146.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 106
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1
  • Topological Polar Surface Area: 78.3?2

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