Cas no 857427-28-2 ((4-AMINO-2-CHLOROPYRIMIDIN-5-YL)METHANOL)

(4-AMINO-2-CHLOROPYRIMIDIN-5-YL)METHANOL structure
857427-28-2 structure
Product Name:(4-AMINO-2-CHLOROPYRIMIDIN-5-YL)METHANOL
CAS No:857427-28-2
MF:C5H6ClN3O
MW:159.57
MDL:MFCD20703658
CID:2130254
PubChem ID:92134729
Update Time:2024-10-26

(4-AMINO-2-CHLOROPYRIMIDIN-5-YL)METHANOL Chemical and Physical Properties

Names and Identifiers

    • 4-amino-2-chloro-5-Pyrimidinemethanol
    • (4-Amino-2-chloropyrimidin-5-yl)methanol
    • FCH1285313
    • AX8277165
    • CID 92134729
    • 5-Pyrimidinemethanol, 4-amino-2-chloro-
    • 857427-28-2
    • SB57586
    • MFCD20703658
    • DS-20003
    • DB-349068
    • O10101
    • CS-0186070
    • AKOS030623300
    • (4-AMINO-2-CHLOROPYRIMIDIN-5-YL)METHANOL
    • MDL： MFCD20703658
    • Inchi： 1S/C5H6ClN3O/c6-5-8-1-3(2-10)4(7)9-5/h1,10H,2H2,(H2,7,8,9)
    • InChI Key： RJJIJAPATQZNDY-UHFFFAOYSA-N
    • SMILES： ClC1=NC=C(CO)C(N)=N1

Computed Properties

  • Exact Mass: 159.0199395g/mol
  • Monoisotopic Mass: 159.0199395g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 113
  • 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
  • Topological Polar Surface Area: 72
  • XLogP3: 0.5

Experimental Properties

  • Density: 1.535±0.06 g/cm3(Predicted)
  • Melting Point: 206 °C (decomp)(Solv: ethanol, 80% (64-17-5))
  • Boiling Point: 441.6±30.0 °C(Predicted)
  • Solubility: DMSO (Slightly), Methanol (Slightly, Heated)
  • pka: 12.93±0.10(Predicted)

(4-AMINO-2-CHLOROPYRIMIDIN-5-YL)METHANOL Security Information

  • Storage Condition：under inert gas (nitrogen or Argon) at 2-8°C

(4-AMINO-2-CHLOROPYRIMIDIN-5-YL)METHANOL Pricemore >>

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