Cas no 90905-00-3 (Benzonitrile, 4-[4-(phenylmethyl)-1-piperazinyl]-)

Benzonitrile, 4-[4-(phenylmethyl)-1-piperazinyl]- structure
90905-00-3 structure
Product Name:Benzonitrile, 4-[4-(phenylmethyl)-1-piperazinyl]-
CAS No:90905-00-3
MF:C18H19N3
MW:277.363563776016
MDL:MFCD05723737
CID:788315
PubChem ID:8032691
Update Time:2025-04-19

Benzonitrile, 4-[4-(phenylmethyl)-1-piperazinyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 4-[4-(phenylmethyl)-1-piperazinyl]-
    • 4-(4-benzylpiperazin-1-yl)benzonitrile
    • 4-(4-Benzylpiperizin-1-yl)benzonitrile
    • 4-(4-Benzyl-piperazin-1-yl)-benzonitrile
    • QJJKANMUMBXTQE-UHFFFAOYSA-N
    • SCHEMBL4834002
    • TS-03541
    • DTXSID40429034
    • MFCD05723737
    • 4-(4-Benzylpiperazin-1-yl) benzonitrile
    • Z126933596
    • 90905-00-3
    • AKOS000217912
    • MDL: MFCD05723737
    • Inchi: 1S/C18H19N3/c19-14-16-6-8-18(9-7-16)21-12-10-20(11-13-21)15-17-4-2-1-3-5-17/h1-9H,10-13,15H2
    • InChI Key: QJJKANMUMBXTQE-UHFFFAOYSA-N
    • SMILES: N1(CC2C=CC=CC=2)CCN(C2C=CC(C#N)=CC=2)CC1

Computed Properties

  • Exact Mass: 277.157897619g/mol
  • Monoisotopic Mass: 277.157897619g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 350
  • 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: 3.1
  • Topological Polar Surface Area: 30.3?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 450.7±45.0 °C at 760 mmHg
  • Flash Point: 196.7±18.0 °C
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

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Benzonitrile, 4-[4-(phenylmethyl)-1-piperazinyl]- Suppliers

Amadis Chemical Company Limited
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(CAS:90905-00-3)Benzonitrile, 4-[4-(phenylmethyl)-1-piperazinyl]-
Order Number:A1190874
Stock Status:in Stock
Quantity:5g/1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:14
Price ($):783.0/243.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:90905-00-3)Benzonitrile, 4-[4-(phenylmethyl)-1-piperazinyl]-
A1190874
Purity:99%/99%
Quantity:5g/1g
Price ($):783.0/243.0
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