Cas no 57519-09-2 (1-Methyl-L-histidine Methyl Ester)

1-Methyl-L-histidine Methyl Ester structure
57519-09-2 structure
Product Name:1-Methyl-L-histidine Methyl Ester
CAS No:57519-09-2
MF:C8H13N3O2
MW:183.207721471786
CID:57151
PubChem ID:7020092
Update Time:2025-04-18

1-Methyl-L-histidine Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • N'-Methyl-L-histidine methyl ester
    • H-His(Nim-Me)-OMe
    • 1-Methyl-L-histidine methyl ester
    • H-His(1-Me)-OMe
    • H-His(1-Me)-OMe·HCl
    • H-HIS(NH-ME)-OME 2HCL
    • H-HIS(N-ME)-OME 2HCL
    • H-His(Nτ-Me)-OMe.2HCl
    • methyl (2S)-2-amino-3-(1-methylimidazol-4-yl)propanoate
    • 1-Me-His-OMe
    • H-His(NH-Me)-OMe.2HCl
    • I14-7025
    • Methyl 2-Methylbenzoate
    • 57519-09-2
    • AC-8656
    • DTXSID40427217
    • SCHEMBL2736340
    • CS-W017046
    • EN300-1588808
    • HY-W016330
    • methyl (2S)-2-amino-3-(1-methyl-1H-imidazol-4-yl)propanoate
    • AS-49169
    • H-His(1-Me)-OMe HCl
    • AKOS015915127
    • (S)-2-Amino-3-(1-Methyl-1H-imidazol-4-yl)propanoic Acid Methyl Ester;
    • 1-Methyl-L-histidine Methyl Ester
    • MDL: MFCD08059710
    • Inchi: 1S/C8H13N3O2/c1-11-4-6(10-5-11)3-7(9)8(12)13-2/h4-5,7H,3,9H2,1-2H3/t7-/m0/s1
    • InChI Key: PQEAVIKJSKOOHN-ZETCQYMHSA-N
    • SMILES: O(C)C([C@H](CC1=CN(C)C=N1)N)=O

Computed Properties

  • Exact Mass: 219.07700
  • Monoisotopic Mass: 219.077
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 387
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 2.2
  • Topological Polar Surface Area: 67.6

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.24
  • Melting Point: No data available
  • Boiling Point: No data available
  • Flash Point: No data available
  • Refractive Index: 1.561
  • PSA: 70.14000
  • LogP: 0.96520
  • Solubility: Not determined
  • Vapor Pressure: No data available

1-Methyl-L-histidine Methyl Ester Security Information

1-Methyl-L-histidine Methyl Ester Pricemore >>

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