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2-Amino-1-mesityl-4,5-dimethyl-1H-pyrrole-3-carbonitrile

  • CAS No. 157286-82-3

  • Cat. No. CS-0497978
  • Molecule weight253.34
  • Purity≥98%
  • MDL No.MFCD05150359

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

2-Amino-1-mesityl-4,5-dimethyl-1H-pyrrole-3-carbonitrile|CS-0497978

Structure of 157286-82-3

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General Information

  • CAS No. 157286-82-3
  • Cat. No. CS-0497978
  • Purity ≥98%
  • MDL No. MFCD05150359
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₉N₃
  • Molecular Weight 253.34
  • Synonym(s) 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile
  • SMILES N#CC1=C(N)N(C2=C(C)C=C(C)C=C2C)C(C)=C1C

Synthesis

  • Route1
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      513-86-0
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      88-05-1
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      109-77-3
    • ~%
    • 2-Amino-1-mesityl-4,5-dimethyl-1H-pyrrole-3-carbonitrile|CS-0497978
      157286-82-3

    References

    • Neurogen Corporation Patent: US6355651 B1, 2002 ; Location in patent: Page column 17 ; US 6355651 B1

Safety Information

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Computational Chemistry Data

  • TPSA   54.74
  • LogP   3.47328
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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