Cas no 21615-66-7 (Alanine, 3-chloro-,ethyl ester, hydrochloride (6CI,7CI,8CI,9CI))

Alanine, 3-chloro-,ethyl ester, hydrochloride (6CI,7CI,8CI,9CI) structure
21615-66-7 structure
Product Name:Alanine, 3-chloro-,ethyl ester, hydrochloride (6CI,7CI,8CI,9CI)
CAS No:21615-66-7
MF:C5H11Cl2NO2
MW:188.052339792252
CID:288711
PubChem ID:24194248
Update Time:2025-04-19

Alanine, 3-chloro-,ethyl ester, hydrochloride (6CI,7CI,8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • Alanine, 3-chloro-,ethyl ester, hydrochloride (6CI,7CI,8CI,9CI)
    • ethyl 2-amino-3-chloropropanoate,hydrochloride
    • NSC166167
    • 21615-66-7
    • NSC-166167
    • DTXSID00638468
    • Ethyl 3-chloroalaninate--hydrogen chloride (1/1)
    • Inchi: 1S/C5H10ClNO2.ClH/c1-2-9-5(8)4(7)3-6;/h4H,2-3,7H2,1H3;1H
    • InChI Key: RWQOVJHBIVDTLX-UHFFFAOYSA-N
    • SMILES: ClCC(C(=O)OCC)N.Cl

Computed Properties

  • Exact Mass: 151.0401
  • Monoisotopic Mass: 187.017
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 97
  • 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
  • Topological Polar Surface Area: 52.3A^2

Experimental Properties

  • Density: 1.166
  • Boiling Point: 181°Cat760mmHg
  • Flash Point: 63.2°C
  • Refractive Index: 1.455
  • PSA: 52.32
  • LogP: 1.61790
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