Cas no 27825-74-7 (2-[2-[2-(bis(cyanomethyl)amino)ethyl-(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile)

2-[2-[2-(bis(cyanomethyl)amino)ethyl-(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile structure
27825-74-7 structure
Product Name:2-[2-[2-(bis(cyanomethyl)amino)ethyl-(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile
CAS No:27825-74-7
MF:C14H18N8
MW:298.34632062912
CID:291318
PubChem ID:314173
Update Time:2025-04-19

2-[2-[2-(bis(cyanomethyl)amino)ethyl-(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-[2-[2-(bis(cyanomethyl)amino)ethyl-(cyanomethyl)amino]ethyl-(cyanomethyl)amino]acetonitrile
    • 2-[bis[2-[bis(cyanomethyl)amino]ethyl]amino]acetonitrile
    • 1.1.4.7.7-Pentakis-cyanmethyl-diaethylentriamin
    • AC1L7P2Q
    • Acetonitrile, 2,2,2,2-(cyanomethyl)iminobis(2,1-ethanediylnitrilo)tetrakis-
    • AG-E-88857
    • CTK1A7980
    • diethylenetriaminepentaacetonitrile
    • diethylenetriamine-pentaacetonitrile
    • N,N-bis-[2-(bis-cyanomethyl-amino)-ethyl]-glycine nitrile
    • NSC231420
    • NSC-231420
    • 27825-74-7
    • Acetonitrile, 2,2',2'',2'''-[[(cyanomethyl)imino]bis(2,1-ethanediylnitrilo)]tetrakis-
    • DTXSID30310725
    • 2,2',2'',2''',2''''-(Ethane-1,2-diylnitrilo)pentaacetonitrile
    • SCHEMBL11414953
    • Inchi: 1S/C14H18N8/c15-1-6-20(7-2-16)11-13-22(10-5-19)14-12-21(8-3-17)9-4-18/h6-14H2
    • InChI Key: PLIYQKRDYBEHIZ-UHFFFAOYSA-N
    • SMILES: N(CC#N)(CCN(CC#N)CC#N)CCN(CC#N)CC#N

Computed Properties

  • Exact Mass: 298.16574
  • Monoisotopic Mass: 298.165
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 11
  • Complexity: 484
  • 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: -0.7
  • Topological Polar Surface Area: 129?2

Experimental Properties

  • Density: 1.201
  • Boiling Point: 632.8°Cat760mmHg
  • Flash Point: 289.8°C
  • Refractive Index: 1.537
  • PSA: 128.67
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