Cas no 654054-57-6 (2,9-Dimethyl-1,10-phenanthroline hydrate)

2,9-Dimethyl-1,10-phenanthroline hydrate structure
654054-57-6 structure
Product Name:2,9-Dimethyl-1,10-phenanthroline hydrate
CAS No:654054-57-6
MF:C14H14N2O
MW:226.273763179779
CID:961846
PubChem ID:24847471
Update Time:2025-04-19

2,9-Dimethyl-1,10-phenanthroline hydrate Chemical and Physical Properties

Names and Identifiers

    • neocuproine hydrate
    • Neocuproine hydrate, 99%
    • SCHEMBL229136
    • MFCD23140843
    • 2,9-Dimethyl-1,10-phenanthroline hydrate (1:1)
    • Neocuproine hemihydrate, for spectrophotometric det. of Cu, >=99.0%
    • DB-226887
    • 2,9-Dimethyl-1,10-phenanthroline hydrate
    • 654054-57-6
    • 2,9-Dimethyl-1,10-phenanthroline xhydrate
    • AKOS024348861
    • 2,9-DIMETHYL-1,10-PHENANTHROLINE HEMIHYDRATE
    • 2,9-dimethyl-1,10-phenanthroline;hydrate
    • 174721-04-1
    • MDL: MFCD00149306
    • Inchi: 1S/C14H12N2.H2O/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h3-8H,1-2H3;1H2
    • InChI Key: MFZBSWSCIWCRKS-UHFFFAOYSA-N
    • SMILES: O.N1C(C)=CC=C2C=CC3=CC=C(C)N=C3C=12

Computed Properties

  • Exact Mass: 226.110613074g/mol
  • Monoisotopic Mass: 226.110613074g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 0
  • Complexity: 227
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 26.8?2

Experimental Properties

  • Solubility: methanol: soluble50mg/mL, clear, colorless to dark yellow

2,9-Dimethyl-1,10-phenanthroline hydrate Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi

2,9-Dimethyl-1,10-phenanthroline hydrate Pricemore >>

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