Cas no 89198-07-2 (L-Aspartic acid,N-(2-aminoethyl)-)

L-Aspartic acid,N-(2-aminoethyl)- structure
89198-07-2 structure
Product Name:L-Aspartic acid,N-(2-aminoethyl)-
CAS No:89198-07-2
MF:C6H12N2O4
MW:176.170481681824
CID:720924
Update Time:2024-11-26

L-Aspartic acid,N-(2-aminoethyl)- Chemical and Physical Properties

Names and Identifiers

    • L-Aspartic acid,N-(2-aminoethyl)-
    • N-(2-AMINOETHYL)-L-ASPARTIC ACID
    • L-Aspartic acid, N-(2-aminoethyl)-
    • Inchi: 1S/C6H12N2O4/c7-1-2-8-4(6(11)12)3-5(9)10/h4,8H,1-3,7H2,(H,9,10)(H,11,12)/t4-/m0/s1
    • InChI Key: PDDUTYPDHMQVSU-BYPYZUCNSA-N
    • SMILES: C(O)(=O)[C@H](CC(O)=O)NCCN

Computed Properties

  • Exact Mass: 176.08000
  • Monoisotopic Mass: 176.08
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 171
  • 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
  • Topological Polar Surface Area: 113A^2

Experimental Properties

  • PSA: 112.65000
  • LogP: -0.44620
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