Cas no 24886-03-1 (L-Histidine, N-methyl-)

L-Histidine, N-methyl- structure
L-Histidine, N-methyl- structure
Product Name:L-Histidine, N-methyl-
CAS No:24886-03-1
MF:C7H11N3O2
MW:169.181141138077
CID:278918
PubChem ID:90638
Update Time:2025-04-19

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

Names and Identifiers

    • L-Histidine, N-methyl-
    • N-Methyl-L-histidine
    • (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid
    • C03298
    • CYZKJBZEIFWZSR-LURJTMIESA-N
    • EINECS 246-513-5
    • (S)-3-(1H-Imidazol-4-yl)-2-(methylamino)propanoic acid
    • Q27104773
    • N(alpha)-methyl-L-histidine
    • NS00027761
    • (2S)-3-(1H-imidazol-4-yl)-2-(methylamino)propanoic acid
    • Methylhistidine
    • CHEBI:50601
    • Nalpha-Methylhistidine
    • n-methylhistidine
    • 24886-03-1
    • Nalpha -Methyl-L-histidine
    • SCHEMBL151335
    • CHEMBL1229144
    • DTXSID20179585
    • Inchi: 1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
    • InChI Key: CYZKJBZEIFWZSR-LURJTMIESA-N
    • SMILES: OC([C@H](CC1=CN=CN1)NC)=O

Computed Properties

  • Exact Mass: 169.08523
  • Monoisotopic Mass: 169.085
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 163
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: -2.7
  • Topological Polar Surface Area: 78A^2

Experimental Properties

  • Density: 1.295
  • Boiling Point: 432.8°C at 760 mmHg
  • Flash Point: 215.5°C
  • Refractive Index: 1.567
  • PSA: 78.01
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