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CS-W001157 4
Total: USD 88.00

1-Amino-3-methyl-1H-pyrrole-2-carboxamide

  • CAS No. 310436-79-4

  • Cat. No. CS-0559880
  • Molecule weight139.16
  • Purity≥98%
  • MDL No.None

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

1-Amino-3-methyl-1H-pyrrole-2-carboxamide|CS-0559880

Structure of 310436-79-4

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General Information

  • CAS No. 310436-79-4
  • Cat. No. CS-0559880
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉N₃O
  • Molecular Weight 139.16
  • Synonym(s) 1H-Pyrrole-2-carboxamide,1-amino-3-methyl-(9CI)
  • SMILES CC1=C(N(C=C1)N)C(=O)N

Synthesis

  • Route1
    • 1-Amino-3-methyl-1H-pyrrole-2-carbonitrile|CS-0559881
      310430-89-8
    • ~84%
    • 1-Amino-3-methyl-1H-pyrrole-2-carboxamide|CS-0559880
      310436-79-4

    References

    • Bristol Myers Squibb Company Patent: US6982265 B1, 2006 ; Location in patent: Page/Page column 24 ;
  • Route2

    References

    • Hunt, John T.; Mitt, Toomas; Borzilleri, Robert; Gullo-Brown, Johnni; Fargnoli, Joseph; Fink, Brian; Han, Wen-Ching; Mortillo, Steven; Vite, Gregory; Wautlet, Barri; Wong, Tai; Yu, Chiang; Zheng, Xiaoping; Bhide, Rajeev Journal of Medicinal Chemistry, 2004 , vol. 47, # 16 p. 4054 - 4059

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   74.04
  • LogP   -0.39078
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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