Cas no 54818-76-7 ((2E)-1-methoxypyridin-2(1H)-imine)

(2E)-1-methoxypyridin-2(1H)-imine structure
54818-76-7 structure
Product Name:(2E)-1-methoxypyridin-2(1H)-imine
CAS No:54818-76-7
MF:C6H8N2O
MW:124.1405210495
CID:1593556
PubChem ID:143206
Update Time:2025-04-21

(2E)-1-methoxypyridin-2(1H)-imine Chemical and Physical Properties

Names and Identifiers

    • (2E)-1-methoxypyridin-2(1H)-imine
    • 1-methoxypyridin-2-imine
    • DTXSID70970160
    • 2(1H)-Pyridinimine,1-methoxy-
    • 1-Methoxypyridin-2(1H)-imine
    • 54818-76-7
    • 1-Methoxy-2-pyridonimin
    • pyridine, 1,2-dihydro-2-imino-1-methoxy-
    • 2(1H)-Pyridinimine, 1-methoxy-
    • Inchi: 1S/C6H8N2O/c1-9-8-5-3-2-4-6(8)7/h2-5,7H,1H3
    • InChI Key: UPTMUZOBCOHGST-UHFFFAOYSA-N
    • SMILES: O(C)N1C=CC=CC1=N

Computed Properties

  • Exact Mass: 124.06374
  • Monoisotopic Mass: 124.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 172
  • 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: 36.3?2

Experimental Properties

  • Density: 1.09
  • Boiling Point: 153.6°C at 760 mmHg
  • Flash Point: 46.7°C
  • Refractive Index: 1.523
  • PSA: 36.32
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