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CS-W001157 4
Total: USD 88.00

1-(4-Nitrophenyl)azepane

  • CAS No. 13663-23-5

  • Cat. No. CS-0215325
  • Molecule weight220.27
  • Purity≥98%
  • MDL No.None

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

1-(4-Nitrophenyl)azepane|CS-0215325

Structure of 13663-23-5

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General Information

  • CAS No. 13663-23-5
  • Cat. No. CS-0215325
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆N₂O₂
  • Molecular Weight 220.27
  • Synonym(s) hexahydro-1-(4-nitrophenyl)-1H-azepine
  • SMILES C1CCCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Koshio, Hiroyuki; Hirayama, Fukushi; Ishihara, Tsukasa; Taniuchi, Yuta; Sato, Kazuo; Sakai-Moritani, Yumiko; Kaku, Seiji; Kawasaki, Tomihisa; Matsumoto, Yuzo; Sakamoto, Shuichi; Tsukamoto, Shin-Ichi Bioorganic and Medicinal Chemistry, 2004 , vol. 12, # 9 p. 2179 - 2191
  • Route2
    • null|null
      55259-21-7
    • ~4%
    • 1-(4-Nitrophenyl)azepane|CS-0215325
      13663-23-5
    • null|null
      81215-37-4

    References

    • Moehrle; Busch Archiv der Pharmazie, 1982 , vol. 315, # 2 p. 119 - 131
  • Route3
    • null|null
      111-49-9
    • null|null
      100-00-5
    • ~%
    • 1-(4-Nitrophenyl)azepane|CS-0215325
      13663-23-5

    References

    • Burmistrow; Antonenko Ukrainskii Khimicheskii Zhurnal (Russian Edition), 1956 , vol. 22, p. 780 Chem.Abstr., 1957 , p. 8765

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3259
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.38
  • LogP   2.9752
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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