Cas no 313552-83-9 (4-(4-propylcyclohexyl)benzonitrile)

4-(4-propylcyclohexyl)benzonitrile structure
313552-83-9 structure
Product Name:4-(4-propylcyclohexyl)benzonitrile
CAS No:313552-83-9
MF:C16H21N
MW:227.34464430809
CID:67606
PubChem ID:109061
Update Time:2025-04-18

4-(4-propylcyclohexyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-(4-propylcyclohexyl)benzonitrile
    • (4-cyanophenyl)phenylacetylene
    • 1-(4-cyanophenyl)-2-phenylacetylene
    • 1-(4-cyanophenyl)-2-phenylethyne
    • 1-(4'-cyanophenyl)-4-propylcyclohexane
    • 1-cyano-4-(2-phenylethynyl)benzene
    • 1-cyano-4-(4-propylcyclohexyl)benzene
    • 1-cyano-4-phenylethynylbenzene
    • 4-(2-phenyleth-1-ynyl)benzonitrile
    • 4-Phenylethynyl-benzonitrile
    • AC1MCV0N
    • CTK4G3883
    • p-trans-4-propylcyclohexylbenzonitrile
    • SureCN1352731
    • trans-4-(4-Propylcyclohexyl)benzonitrile
    • 4-(4-propyl-cyclohexyl)-benzonitrile
    • NS00053366
    • 4-((1s,4r)-4-propylcyclohexyl)benzonitrile;4-(trans-4-propylcyclohexyl)benzonitrile
    • FT-0749878
    • 4-(4'-Propylcyclohexyl)benzonitrile
    • trans-4-propyl-(4-cyanophenyl)-cyclohexane
    • 1-Cyano-4-(trans-4-propylcyclohexyl)benzene
    • Benzonitrile, 4-(4-propylcyclohexyl)-
    • EINECS 262-654-5
    • SB66718
    • XXUSEPRYHRDKFV-UHFFFAOYSA-N
    • 4-trans-propylcyclohexylcyanobenzene
    • MFCD04038799
    • SR-01000388832
    • AKOS015917929
    • A24026
    • EU-0000047
    • SCHEMBL1658450
    • 4-((1s,4r)-4-propylcyclohexyl)benzonitrile
    • trans-4-Propyl(4-cyanophenyl)cyclohexane
    • LS-14511
    • 61203-99-4
    • MFCD08275630
    • DTXSID80886420
    • FT-0640736
    • W-105180
    • AMY25191
    • AKOS015839626
    • SR-01000388832-1
    • 313552-83-9
    • SCHEMBL261024
    • CS-W010413
    • 4-(trans-4-Propylcyclohexyl)benzonitrile
    • 63834-44-6
    • 4-(4-Propylcyclohexyl)benzonitrile #
    • DTXSID70980446
    • SCHEMBL16133534
    • DS-15534
    • SB66467
    • Benzonitrile, 4-(trans-4-propylcyclohexyl)-
    • P1617
    • 4-(TRANS-4'-N-PROPYLCYCLOHEXYL)BENZONITRILE
    • trans-4-(4-Propyl-cyclohexyl)-benzonitrile
    • SY102536
    • XXUSEPRYHRDKFV-CTYIDZIISA-N
    • DB-030458
    • DB-009031
    • Rel-4-((1s,4r)-4-propylcyclohexyl)benzonitrile
    • 62788-03-8
    • DB-363505
    • MDL: MFCD00804626
    • Inchi: 1S/C16H21N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3
    • InChI Key: XXUSEPRYHRDKFV-UHFFFAOYSA-N
    • SMILES: N#CC1C=CC(=CC=1)C1CCC(CCC)CC1

Computed Properties

  • Exact Mass: 227.16753
  • Monoisotopic Mass: 227.167
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 259
  • 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
  • Topological Polar Surface Area: 23.8A^2
  • XLogP3: 5.5

Experimental Properties

  • Density: 0.98
  • Boiling Point: 351.8oC at 760 mmHg
  • Flash Point: 167.4oC
  • Refractive Index: 1.528
  • PSA: 23.79
  • LogP: 4.63218

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