Cas no 10367-17-6 (4-Oxalysine)

4-Oxalysine structure
4-Oxalysine structure
Product Name:4-Oxalysine
CAS No:10367-17-6
MF:C5H12N2O3
MW:148.160381317139
CID:174196
Update Time:2024-03-01

4-Oxalysine Chemical and Physical Properties

Names and Identifiers

    • 4-Oxalysine
    • (2S)-2-amino-3-(2-aminoethoxy)propanoic acid
    • 3-(2-Aminoethoxy)alanine
    • I-677
    • Serine, O-(2-aminoethyl)-
    • Inchi: 1S/C5H12N2O3/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
    • InChI Key: SLTGLTLBIVDQKE-BYPYZUCNSA-N
    • SMILES: C(O)(=O)[C@H](COCCN)N

Computed Properties

  • Exact Mass: 148.08486
  • Monoisotopic Mass: 148.085
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 5
  • Complexity: 107
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 98.6A^2

Experimental Properties

  • Density: 1.236
  • Boiling Point: 335.3°Cat760mmHg
  • Flash Point: 156.6°C
  • Refractive Index: 1.505
  • PSA: 98.57
  • LogP: -0.22580
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