Cas no 10145-85-4 (D-Alanine, N-(N-L-alanyl-D-alanyl)-)

D-Alanine, N-(N-L-alanyl-D-alanyl)- structure
10145-85-4 structure
Product Name:D-Alanine, N-(N-L-alanyl-D-alanyl)-
CAS No:10145-85-4
MF:C9H17N3O4
MW:231.248982191086
CID:1132032
Update Time:2024-07-27

D-Alanine, N-(N-L-alanyl-D-alanyl)- Chemical and Physical Properties

Names and Identifiers

    • D-Alanine, N-(N-L-alanyl-D-alanyl)-
    • D-Alanine, L-alanyl-D-alanyl-
    • Inchi: 1S/C9H17N3O4/c1-4(10)7(13)11-5(2)8(14)12-6(3)9(15)16/h4-6H,10H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t4-,5+,6+/m0/s1
    • InChI Key: BYXHQQCXAJARLQ-KVQBGUIXSA-N
    • SMILES: C(O)(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](C)N

Computed Properties

  • Exact Mass: 231.12201

Experimental Properties

  • Density: 1.227±0.06 g/cm3(Predicted)
  • Boiling Point: 566.5±45.0 °C(Predicted)
  • PSA: 121.52
  • pka: 3.41±0.10(Predicted)
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