Cas no 18505-84-5 (1-Piperazinepropanenitrile,4-phenyl-)

1-Piperazinepropanenitrile,4-phenyl- structure
18505-84-5 structure
Product Name:1-Piperazinepropanenitrile,4-phenyl-
CAS No:18505-84-5
MF:C13H17N3
MW:215.294182538986
CID:229225
PubChem ID:258309
Update Time:2025-04-19

1-Piperazinepropanenitrile,4-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1-Piperazinepropanenitrile,4-phenyl-
    • 1-(2-cyanoethyl)-4-phenylpiperazine
    • 2-Thiazolidinethione, 3-(1-oxo-4-phenylbutyl)-
    • 3-(4-phenylbutyryl)thiazolidine-2-thione
    • 3-(4-phenyl-butyryl)-thiazolidine-2-thione
    • 3-(4-phenylpiperazin-1-yl) propanenitrile
    • 3-(4-phenyl-piperazin-1-yl)-propionitrile
    • 3-(4-Phenyl-piperazino)-propionitril
    • 3-(4-phenyl-piperazino)-propionitrile
    • 3-[4-(phenyl)-piperazin-1-yl]-propionitrile
    • CTK1I2708
    • F2189-1015
    • SCHEMBL11577567
    • NSC-87108
    • 4-phenyl-1-(2-cyanoethyl)-piperazine
    • beta-(4-phenylpiperazin-1-yl)propionitrile
    • 1-Piperazinepropanenitrile, 4-phenyl-
    • Z46173949
    • CHEMBL230036
    • 18505-84-5
    • 3-(4-phenyl-1-piperazinyl)propanenitrile
    • KTXUJUPSPCFJME-UHFFFAOYSA-N
    • AKOS000181639
    • DTXSID40939921
    • AE-641/00791002
    • NCIOpen2_005257
    • NSC87108
    • 3-(4-phenylpiperazin-1-yl)propanenitrile
    • Inchi: 1S/C13H17N3/c14-7-4-8-15-9-11-16(12-10-15)13-5-2-1-3-6-13/h1-3,5-6H,4,8-12H2
    • InChI Key: KTXUJUPSPCFJME-UHFFFAOYSA-N
    • SMILES: N1(CCC#N)CCN(C2C=CC=CC=2)CC1

Computed Properties

  • Exact Mass: 215.14241
  • Monoisotopic Mass: 215.142
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 241
  • 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: 1.5
  • Topological Polar Surface Area: 30.3?2

Experimental Properties

  • Density: 1.075
  • Boiling Point: 384.3°Cat760mmHg
  • Flash Point: 169.7°C
  • Refractive Index: 1.551
  • PSA: 30.27
  • LogP: 1.72518
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