Cas no 21087-03-6 ((2s)-2-aminobutanedioic Acid; (2s)-2,6-diaminohexanoic Acid)

(2s)-2-aminobutanedioic Acid; (2s)-2,6-diaminohexanoic Acid structure
21087-03-6 structure
Product Name:(2s)-2-aminobutanedioic Acid; (2s)-2,6-diaminohexanoic Acid
CAS No:21087-03-6
MF:C10H21N3O6
MW:279.290242910385
CID:1398505
PubChem ID:89431
Update Time:2025-04-20

(2s)-2-aminobutanedioic Acid; (2s)-2,6-diaminohexanoic Acid Chemical and Physical Properties

Names and Identifiers

    • Lysin aspartat
    • KALLIDIN
    • KRPPGFSPFR
    • [LYS0] BRADYKININ
    • Kinin-10
    • Kallidin II
    • BRADYKININ (LYS)
    • Kallidin-10
    • Bradykynin
    • [Lys]bradykinin
    • lysylbradykinin
    • lysyl-bradykinin
    • Substance DK
    • Lys-Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg
    • (2S)-2-aminobutanedioic acid, (2S)-2,6-diaminohexanoic acid
    • (2S)-2,6-diaminohexanoic acid
    • (2S)-2-aminobutanedioic acid
    • Aspartic acid--lysine (1/1)
    • EINECS 244-208-1
    • DTXSID10943398
    • DL-Aspartic acid, compound with L-lysine (1:1)
    • 21087-03-6
    • (2s)-2-aminobutanedioic Acid; (2s)-2,6-diaminohexanoic Acid
    • Inchi： 1S/C6H14N2O2.C4H7NO4/c7-4-2-1-3-5(8)6(9)10;5-2(4(8)9)1-3(6)7/h5H,1-4,7-8H2,(H,9,10);2H,1,5H2,(H,6,7)(H,8,9)/t5-;/m0./s1
    • InChI Key： CPYVQXAASIFAMD-JEDNCBNOSA-N
    • SMILES： OC([C@H](CCCCN)N)=O.OC(C(CC(=O)O)N)=O

Computed Properties

  • Exact Mass: 279.14313
  • Monoisotopic Mass: 279.143035
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 8
  • Complexity: 239
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 190

Experimental Properties

  • Boiling Point: 516.6°C at 760 mmHg
  • Flash Point: 266.2°C
  • PSA: 189.96

(2s)-2-aminobutanedioic Acid; (2s)-2,6-diaminohexanoic Acid Related Literature

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