Cas no 738564-96-0 (D-Histidine, N-methyl-)

D-Histidine, N-methyl- structure
D-Histidine, N-methyl- structure
Product Name:D-Histidine, N-methyl-
CAS No:738564-96-0
MF:C7H11N3O2
MW:169.181141138077
CID:559909
PubChem ID:45082687
Update Time:2025-04-19

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

Names and Identifiers

    • D-Histidine, N-methyl-
    • D-Histidine, N-methyl- (9CI)
    • r-methylhistidine
    • DTXSID10665326
    • (R)-3-(1H-Imidazol-4-yl)-2-(methylamino)propanoic acid
    • 738564-96-0
    • N-METHYL-D-HISTIDINE
    • (2R)-3-(1H-imidazol-4-yl)-2-(methylamino)propanoic acid
    • EN300-1132075
    • (2R)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoic acid
    • SCHEMBL163396
    • 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-/m1/s1
    • InChI Key: CYZKJBZEIFWZSR-ZCFIWIBFSA-N
    • SMILES: OC([C@@H](CC1=CN=CN1)NC)=O

Computed Properties

  • Exact Mass: 169.085
  • 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
  • Topological Polar Surface Area: 78A^2
  • XLogP3: -2.7
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