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CS-W001157 4
Total: USD 88.00

4-(Azepan-1-yl)aniline

  • CAS No. 57356-18-0

  • Cat. No. CS-0246821
  • Molecule weight190.28
  • Purity≥98%
  • MDL No.None

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

4-(Azepan-1-yl)aniline|CS-0246821

Structure of 57356-18-0

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General Information

  • CAS No. 57356-18-0
  • Cat. No. CS-0246821
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈N₂
  • Molecular Weight 190.28
  • Synonym(s) Benzenamine, 4-(hexahydro-1H-azepin-1-yl)-
  • SMILES C1CCCN(CC1)C2=CC=C(C=C2)N

Synthesis

  • Route1
    • 1-(4-Nitrophenyl)azepane|CS-0215325
      13663-23-5
    • ~%
    • 4-(Azepan-1-yl)aniline|CS-0246821
      57356-18-0

    References

    • Bioorganic and Medicinal Chemistry, , vol. 12, # 9 p. 2179 - 2191
  • Route2
    • null|null
      111-49-9
    • ~%
    • 4-(Azepan-1-yl)aniline|CS-0246821
      57356-18-0

    References

    • Bioorganic and Medicinal Chemistry, , vol. 12, # 9 p. 2179 - 2191
  • Route3

    References

    • Bioorganic and Medicinal Chemistry, , vol. 12, # 9 p. 2179 - 2191

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H318-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   29.26
  • LogP   2.6492
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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