Cas no 58813-24-4 (L-Histidine, N-propyl-)

L-Histidine, N-propyl- structure
L-Histidine, N-propyl- structure
Product Name:L-Histidine, N-propyl-
CAS No:58813-24-4
MF:C9H15N3O2
MW:197.234301805496
CID:340802
PubChem ID:54281507
Update Time:2025-04-19

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

Names and Identifiers

    • L-Histidine, N-propyl-
    • (2S)-3-(1H-imidazol-5-yl)-2-(propylamino)propanoic acid
    • (S)-3-(1H-Imidazol-4-yl)-2-(propylamino)propanoic acid
    • N-Propyl-L-histidine
    • SCHEMBL7738755
    • 58813-24-4
    • DTXSID50710288
    • Inchi: 1S/C9H15N3O2/c1-2-3-11-8(9(13)14)4-7-5-10-6-12-7/h5-6,8,11H,2-4H2,1H3,(H,10,12)(H,13,14)/t8-/m0/s1
    • InChI Key: RRCLFBZOBRYAJV-QMMMGPOBSA-N
    • SMILES: OC([C@H](CC1=CN=CN1)NCCC)=O

Computed Properties

  • Exact Mass: 197.11655
  • Monoisotopic Mass: 197.116426730g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 6
  • Complexity: 187
  • 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: -1.8
  • Topological Polar Surface Area: 78?2

Experimental Properties

  • PSA: 78.01
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