Cas no 61442-39-5 (6-amino-2-Pyrazinecarboxylic acid ethyl ester)

6-amino-2-Pyrazinecarboxylic acid ethyl ester structure
61442-39-5 structure
Product Name:6-amino-2-Pyrazinecarboxylic acid ethyl ester
CAS No:61442-39-5
MF:C7H9N3O2
MW:167.165261030197
CID:479255
PubChem ID:12295730
Update Time:2025-04-19

6-amino-2-Pyrazinecarboxylic acid ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 6-amino-2-Pyrazinecarboxylic acid ethyl ester
    • ethyl 6-aminopyrazine-2-carboxylate
    • Pyrazinecarboxylic acid, 6-amino-, ethyl ester
    • 61442-39-5
    • SCHEMBL12228820
    • DTXSID80485518
    • EN300-6509745
    • Inchi: 1S/C7H9N3O2/c1-2-12-7(11)5-3-9-4-6(8)10-5/h3-4H,2H2,1H3,(H2,8,10)
    • InChI Key: VCCHIBUYIRLVFN-UHFFFAOYSA-N
    • SMILES: O(C(C1C=NC=C(N)N=1)=O)CC

Computed Properties

  • Exact Mass: 167.06957
  • Monoisotopic Mass: 167.069476538g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 163
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.5
  • Topological Polar Surface Area: 78.1?2

Experimental Properties

  • PSA: 78.1

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