Cas no 137522-76-0 ([(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile)

[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile structure
137522-76-0 structure
Product Name:[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
CAS No:137522-76-0
MF:C9H10ClN5O2
MW:255.660999774933
CID:1244596
PubChem ID:3071536
Update Time:2025-04-20

[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile Chemical and Physical Properties

Names and Identifiers

    • [(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
    • 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
    • 137522-76-0
    • 2-Morpholino-4-chloro-6-cyanomethoxy-s-triazine
    • Acetonitrile, ((4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl)oxy)-
    • ((4-Chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl)oxy)acetonitrile
    • DTXSID00160219
    • BRN 5442952
    • Inchi: 1S/C9H10ClN5O2/c10-7-12-8(15-2-5-16-6-3-15)14-9(13-7)17-4-1-11/h2-6H2
    • InChI Key: HSWGVCPCFORPGI-UHFFFAOYSA-N
    • SMILES: ClC1N=C(N=C(N=1)N1CCOCC1)OCC#N

Computed Properties

  • Exact Mass: 255.0525
  • Monoisotopic Mass: 255.052
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 290
  • 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: 1.1
  • Topological Polar Surface Area: 84.2?2

Experimental Properties

  • Density: 1.434
  • Boiling Point: 499.8°C at 760 mmHg
  • Flash Point: 256.1°C
  • Refractive Index: 1.569
  • PSA: 84.16
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