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CS-W001157 4
Total: USD 88.00

2-(4-Amino-3-methylphenyl)acetonitrile

  • CAS No. 180149-38-6

  • Cat. No. CS-0564861
  • Purity≥98%
  • MDL No.None

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

2-(4-Amino-3-methylphenyl)acetonitrile|CS-0564861

Structure of 180149-38-6

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General Information

  • CAS No. 180149-38-6
  • Cat. No. CS-0564861
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂
  • Molecular Weight 146.19
  • Synonym(s) (4-Amino-3-methylphenyl)acetonitrile
  • SMILES N#CCC1=CC=C(C(C)=C1)N

Synthesis

  • Route1
    • 2-(3-Methyl-4-nitrophenyl)acetonitrile|CS-0934904
      119713-11-0
    • ~%
    • 2-(4-Amino-3-methylphenyl)acetonitrile|CS-0564861
      180149-38-6

    References

    • NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2005/54238 A1, 2005 ; Location in patent: Page/Page column 84 ; WO 2005/054238 A1
  • Route2

    References

    • Barger; Ewins Journal of the Chemical Society, 1910 , vol. 97, p. 2260
  • Route3
    • null|null
      7647-01-0
    • 2-(3-Methyl-4-nitrophenyl)acetonitrile|CS-0934904
      119713-11-0
    • ~%
    • 2-(4-Amino-3-methylphenyl)acetonitrile|CS-0564861
      180149-38-6

    References

    • Barger; Ewins Journal of the Chemical Society, 1910 , vol. 97, p. 2260

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

Quality Control

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   1.6433
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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