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CS-W001157 4
Total: USD 88.00

2-(Azepan-1-yl)acetonitrile

  • CAS No. 54714-50-0

  • Cat. No. CS-0453642
  • Molecule weight138.21
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

2-(Azepan-1-yl)acetonitrile|CS-0453642

Structure of 54714-50-0

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General Information

  • CAS No. 54714-50-0
  • Cat. No. CS-0453642
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄N₂
  • Molecular Weight 138.21
  • Synonym(s) Hexahydro-1H-azepine-1-acetonitrile
  • SMILES C1CCCN(CC1)CC#N

Synthesis

  • Route1
    • null|null
      111-49-9
    • null|null
      460-19-5
    • ~91%
    • 2-(Azepan-1-yl)acetonitrile|CS-0453642
      54714-50-0

    References

    • AUCKLAND UNISERVICES LIMITED Patent: WO2006/104406 A1, 2006 ; Location in patent: Page/Page column 168 ;
  • Route2
    • null|null
      111-49-9
    • null|null
      107-14-2
    • ~%
    • 2-(Azepan-1-yl)acetonitrile|CS-0453642
      54714-50-0

    References

    • Journal of the American Chemical Society, , vol. 80, p. 3769,3770
  • Route3
    • null|null
      111-49-9
    • null|null
      50-00-0
    • null|null
      143-33-9
    • ~%
    • 2-(Azepan-1-yl)acetonitrile|CS-0453642
      54714-50-0

    References

    • Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), , vol. 34, # 11 p. 2351 - 2359 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , # 11 p. 2537 - 2546

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅰ
Hazard Statements : H300-H310-H315-H319-H330
Precautionary Statements : P260-P262-P264-P270-P271-P280-P284-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   27.03
  • LogP   1.38598
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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