Cas no 58813-23-3 (L-Histidine, N-butyl-)

L-Histidine, N-butyl- structure
L-Histidine, N-butyl- structure
Product Name:L-Histidine, N-butyl-
CAS No:58813-23-3
MF:C10H17N3O2
MW:211.260882139206
CID:340803
PubChem ID:53982024
Update Time:2025-04-19

L-Histidine, N-butyl- Chemical and Physical Properties

Names and Identifiers

    • L-Histidine, N-butyl-
    • (2S)-2-(butylamino)-3-(1H-imidazol-5-yl)propanoic acid
    • DTXSID10708141
    • 58813-23-3
    • N-Butyl-L-histidine
    • SCHEMBL3685448
    • Inchi: 1S/C10H17N3O2/c1-2-3-4-12-9(10(14)15)5-8-6-11-7-13-8/h6-7,9,12H,2-5H2,1H3,(H,11,13)(H,14,15)/t9-/m0/s1
    • InChI Key: JYXMNARRSCPLBW-VIFPVBQESA-N
    • SMILES: OC([C@H](CC1=CN=CN1)NCCCC)=O

Computed Properties

  • Exact Mass: 211.13221
  • Monoisotopic Mass: 211.132076794g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 7
  • Complexity: 199
  • 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
  • XLogP3: -1.5
  • Topological Polar Surface Area: 78?2

Experimental Properties

  • PSA: 78.01
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