Cas no 400727-04-0 (1-(2-Pyridinyl)cyclopentanecarbonitrile)

1-(2-Pyridinyl)cyclopentanecarbonitrile structure
400727-04-0 structure
Product Name:1-(2-Pyridinyl)cyclopentanecarbonitrile
CAS No:400727-04-0
MF:C11H12N2
MW:172.226382255554
MDL:MFCD15144530
CID:1082378
PubChem ID:52988134
Update Time:2025-07-30

1-(2-Pyridinyl)cyclopentanecarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-(2-Pyridinyl)cyclopentanecarbonitrile
    • 1-(2-PYRIDINYL)-CYCLOPENTANECARBONITRILE
    • 1-pyridin-2-ylcyclopentane-1-carbonitrile
    • 1-Pyridin-2-yl-cyclopentanecarbonitrile
    • DB-002268
    • SCHEMBL15862755
    • MRLREHCMBWHUHY-UHFFFAOYSA-N
    • SB54694
    • CS-0531065
    • MFCD15144530
    • 400727-04-0
    • 1-(pyridin-2-yl)cyclopentanecarbonitrile
    • AKOS017517880
    • MDL： MFCD15144530
    • Inchi： 1S/C11H12N2/c12-9-11(6-2-3-7-11)10-5-1-4-8-13-10/h1,4-5,8H,2-3,6-7H2
    • InChI Key： MRLREHCMBWHUHY-UHFFFAOYSA-N
    • SMILES： N1C=CC=CC=1C1(C#N)CCCC1

Computed Properties

  • Exact Mass: 172.100048391g/mol
  • Monoisotopic Mass: 172.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 220
  • 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: 2
  • Topological Polar Surface Area: 36.7?2

Experimental Properties

  • Density: 1.09±0.1 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 334.1±25.0 oC (760 Torr),
  • Flash Point: 118.0±8.3 oC,
  • Solubility: Slightly soluble (2.2 g/l) (25 o C),

1-(2-Pyridinyl)cyclopentanecarbonitrile Pricemore >>

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abcr
AB456106-250 mg
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