Cas no 1019127-04-8 (2-(Propylamino)isonicotinic acid)

2-(Propylamino)isonicotinic acid structure
1019127-04-8 structure
Product Name:2-(Propylamino)isonicotinic acid
CAS No:1019127-04-8
MF:C9H12N2O2
MW:180.203782081604
MDL:MFCD11131957
CID:1070171
PubChem ID:28399942
Update Time:2025-04-20

2-(Propylamino)isonicotinic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(Propylamino)isonicotinic acid
    • 2-(propylamino)pyridine-4-carboxylic acid
    • 1019127-04-8
    • SB54826
    • DTXSID50651389
    • 4-pyridinecarboxylic acid,2-(propylamino)-
    • AKOS000215629
    • 2-(PROPYLAMINO)ISONICOTINICACID
    • MDL: MFCD11131957
    • Inchi: 1S/C9H12N2O2/c1-2-4-10-8-6-7(9(12)13)3-5-11-8/h3,5-6H,2,4H2,1H3,(H,10,11)(H,12,13)
    • InChI Key: PZWGBONJHOBLRM-UHFFFAOYSA-N
    • SMILES: OC(C1C=CN=C(C=1)NCCC)=O

Computed Properties

  • Exact Mass: 180.09000
  • Monoisotopic Mass: 180.089877630g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 173
  • 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: 1.6
  • Topological Polar Surface Area: 62.2?2

Experimental Properties

  • PSA: 62.22000
  • LogP: 1.67470

2-(Propylamino)isonicotinic acid Security Information

  • HazardClass:IRRITANT

2-(Propylamino)isonicotinic acid Pricemore >>

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