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CS-W001157 4
Total: USD 88.00

3-Chloroisoquinolin-5-amine

  • CAS No. 58142-49-7

  • Cat. No. CS-0051400
  • Purity≥96%
  • MDL No.None

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

3-Chloroisoquinolin-5-amine|CS-0051400

Structure of 58142-49-7

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General Information

  • CAS No. 58142-49-7
  • Cat. No. CS-0051400
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇ClN₂
  • Molecular Weight 178.62
  • Synonym(s) 5-Isoquinolinamine,3-chloro-(9CI)
  • SMILES NC1=C2C=C(Cl)N=CC2=CC=C1

Synthesis

  • Route1

    References

    • ABBOTT LABORATORIES; GOMTSYAN, Arthur R.; VOIGHT, Eric A.; BAYBURT, Erol K.; CHEN, Jun; DAANEN, Jerome F.; DIDOMENICO, Stanley, Jr.; KORT, Michael E.; KYM, Philip R.; MCDONALD, Heath A.; PERNER, Richard J.; SCHMIDT, Robert G. Patent: WO2010/45402 A1, 2010 ; Location in patent: Page/Page column 87 ; WO 2010/045402 A1
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 50, # 15 p. 3651 - 3660
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 50, # 15 p. 3651 - 3660

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.91
  • LogP   2.4704
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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