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CS-W001157 4
Total: USD 88.00

[4-(azepan-1-yl)phenyl]methanamine

  • CAS No. 581812-79-5

  • Cat. No. CS-0224842
  • Molecule weight204.31
  • Purity≥98%
  • MDL No.None

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

[4-(azepan-1-yl)phenyl]methanamine|CS-0224842

Structure of 581812-79-5

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General Information

  • CAS No. 581812-79-5
  • Cat. No. CS-0224842
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₀N₂
  • Molecular Weight 204.31
  • Synonym(s) 4-Azepan-1-YL-benzylamine
  • SMILES C1CCCN(CC1)C2=CC=C(C=C2)CN

Synthesis

  • Route1
    • 4-(Azepan-1-yl)benzonitrile|CS-0333934
      162377-67-5
    • ~99%
    • [4-(azepan-1-yl)phenyl]methanamine|CS-0224842
      581812-79-5

    References

    • Perner, Richard J.; DiDomenico, Stanley; Koenig, John R.; Gomtsyan, Arthur; Bayburt, Erol K.; Schmidt, Robert G.; Drizin, Irene; Guo, Zhu Zheng; Turner, Sean C.; Jinkerson, Tammie; Brown, Brian S.; Keddy, Ryan G.; Lukin, Kurill; McDonald, Heath A.; Honore, Prisca; Mikusa, Joe; Marsh, Kennan C.; Wetter, Jill M.; St. George, Karen; Jarvis, Michael F.; Faltynek, Connie R.; Lee, Chih-Hung Journal of Medicinal Chemistry, 2007 , vol. 50, # 15 p. 3651 - 3660
  • Route2
    • null|null
      111-49-9
    • ~%
    • [4-(azepan-1-yl)phenyl]methanamine|CS-0224842
      581812-79-5

    References

    • Perner, Richard J.; DiDomenico, Stanley; Koenig, John R.; Gomtsyan, Arthur; Bayburt, Erol K.; Schmidt, Robert G.; Drizin, Irene; Guo, Zhu Zheng; Turner, Sean C.; Jinkerson, Tammie; Brown, Brian S.; Keddy, Ryan G.; Lukin, Kurill; McDonald, Heath A.; Honore, Prisca; Mikusa, Joe; Marsh, Kennan C.; Wetter, Jill M.; St. George, Karen; Jarvis, Michael F.; Faltynek, Connie R.; Lee, Chih-Hung Journal of Medicinal Chemistry, 2007 , vol. 50, # 15 p. 3651 - 3660
  • Route3
    • null|null
      1194-02-1
    • ~%
    • [4-(azepan-1-yl)phenyl]methanamine|CS-0224842
      581812-79-5

    References

    • Perner, Richard J.; DiDomenico, Stanley; Koenig, John R.; Gomtsyan, Arthur; Bayburt, Erol K.; Schmidt, Robert G.; Drizin, Irene; Guo, Zhu Zheng; Turner, Sean C.; Jinkerson, Tammie; Brown, Brian S.; Keddy, Ryan G.; Lukin, Kurill; McDonald, Heath A.; Honore, Prisca; Mikusa, Joe; Marsh, Kennan C.; Wetter, Jill M.; St. George, Karen; Jarvis, Michael F.; Faltynek, Connie R.; Lee, Chih-Hung Journal of Medicinal Chemistry, 2007 , vol. 50, # 15 p. 3651 - 3660

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 2735
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H312-H314-H332-H335
Precautionary Statements : P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P363-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.26
  • LogP   2.5257
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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