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CS-W001157 4
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2-(Isobutylamino)benzonitrile

  • CAS No. 204078-86-4

  • Cat. No. CS-0449704
  • Molecule weight174.24
  • Purity≥98%
  • MDL No.None

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

2-(Isobutylamino)benzonitrile|CS-0449704

Structure of 204078-86-4

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General Information

  • CAS No. 204078-86-4
  • Cat. No. CS-0449704
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄N₂
  • Molecular Weight 174.24
  • Synonym(s) None
  • SMILES CC(C)CNC1=CC=CC=C1C#N

Synthesis

  • Route1
    • null|null
      394-47-8
    • null|null
      78-81-9
    • ~%
    • 2-(Isobutylamino)benzonitrile|CS-0449704
      204078-86-4

    References

    • Kyowa Hakko Kogyo Co., Ltd. Patent: US6127541 A1, 2000 ; US 6127541 A

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   2.62618
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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