Cas no 57964-40-6 (1-Naphthalenepropanenitrile,4-cyano-1,2,3,4-tetrahydro-)

1-Naphthalenepropanenitrile,4-cyano-1,2,3,4-tetrahydro- structure
57964-40-6 structure
Product Name:1-Naphthalenepropanenitrile,4-cyano-1,2,3,4-tetrahydro-
CAS No:57964-40-6
MF:C14H14N2
MW:210.274363040924
CID:372123
PubChem ID:154380
Update Time:2025-04-19

1-Naphthalenepropanenitrile,4-cyano-1,2,3,4-tetrahydro- Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenepropanenitrile,4-cyano-1,2,3,4-tetrahydro-
    • 4-Cyano-1,2,3,4-tetrahydro-1-naphthaleneacetonitrile
    • 3-[1-(4-Cyano-1,2,3,4-tetrahydronaphthyl)]propanenitrile
    • 4-(2-Cyanoethyl)-1,2,3,4-tetrahydro-1-naphthalenecarbonitrile
    • 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro
    • DTXSID90872319
    • 57964-40-6
    • NS00096235
    • 4-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
    • JRUGFHHEKLYFPC-UHFFFAOYSA-N
    • 4-(2-Cyanoethyl)-1,2,3,4-tetrahydro-1-naphthalenecarbonitrile #
    • 1-Naphthalenepropanenitrile, 4-cyano-1,2,3,4-tetrahydro-
    • starbld0004168
    • Inchi： 1S/C14H14N2/c15-9-3-4-11-7-8-12(10-16)14-6-2-1-5-13(11)14/h1-2,5-6,11-12H,3-4,7-8H2
    • InChI Key： JRUGFHHEKLYFPC-UHFFFAOYSA-N
    • SMILES： N#CC1C2C=CC=CC=2C(CCC#N)CC1

Computed Properties

  • Exact Mass: 210.11582
  • Monoisotopic Mass: 210.116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 329
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 47.6?2

Experimental Properties

  • Density: 1.1
  • Boiling Point: 432.1°Cat760mmHg
  • Flash Point: 213.6°C
  • Refractive Index: 1.557
  • PSA: 47.58

1-Naphthalenepropanenitrile,4-cyano-1,2,3,4-tetrahydro- Related Literature

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