Cas no 205503-95-3 (L-Allothreonine,O-ethyl-, hydrochloride (9CI))

L-Allothreonine,O-ethyl-, hydrochloride (9CI) structure
205503-95-3 structure
Product Name:L-Allothreonine,O-ethyl-, hydrochloride (9CI)
CAS No:205503-95-3
MF:C6H14ClNO3
MW:183.633261203766
CID:283882
Update Time:2024-01-27

L-Allothreonine,O-ethyl-, hydrochloride (9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Allothreonine,O-ethyl-, hydrochloride (9CI)
    • O-Ethyl-L-allothreonine
    • (2S,3S)-2-AMINO-3-ETHOXYBUTANOIC ACID HYDROCHLORIDE, 80% E.E., 99+%
    • (2S,3S)-2-Amino-3-ethoxybutanoic acid hydrochloride,99+%,80% ee
    • Inchi: 1S/C6H13NO3.ClH/c1-3-10-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H,8,9);1H/t4-,5-;/m0./s1
    • InChI Key: AQOVQTZVNTXWCJ-FHAQVOQBSA-N
    • SMILES: [C@@H](N)(C(=O)O)[C@H](C)OCC.Cl

Computed Properties

  • Exact Mass: 147.09
  • Monoisotopic Mass: 147.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 3
  • Complexity: 110
  • 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
  • Topological Polar Surface Area: 77A^2

Experimental Properties

  • Color/Form: Not available
  • Density: 1.106
  • Boiling Point: 258°Cat760mmHg
  • Flash Point: 109.8°C
  • Solubility: Not available

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