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CS-W001157 4
Total: USD 88.00

4-(Isopropylamino)benzonitrile

  • CAS No. 204078-26-2

  • Cat. No. CS-0209766
  • Molecule weight160.22
  • Purity≥98%
  • MDL No.MFCD11145772

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

4-(Isopropylamino)benzonitrile|CS-0209766

Structure of 204078-26-2

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General Information

  • CAS No. 204078-26-2
  • Cat. No. CS-0209766
  • Purity ≥98%
  • MDL No. MFCD11145772
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂
  • Molecular Weight 160.22
  • Synonym(s) 4-Isopropylaminobenzonitrile
  • SMILES CC(C)NC1=CC=C(C=C1)C#N

Synthesis

  • Route1
    • null|null
      1194-02-1
    • null|null
      75-31-0
    • ~29%
    • 4-(Isopropylamino)benzonitrile|CS-0209766
      204078-26-2

    References

    • IRM LLC; NOVARTIS AG; CHATTERJEE, Arnab Kumar; NAGLE, Advait Suresh; PARASELLI, Prasuna; KONDREDDI, Ravinder Reddy; LEONG, Seh Yong; MISHRA, Pranab Kumar; MOREAU, Robert Joseph; ROLAND, Jason Thomas; SIM, Wei Lin Sandra; SIMON, Oliver; TAN, Liying Jocelyn; YEUNG, Bryan KS; ZOU, Bin; BOLLU, Venkatataiah Patent: WO2014/78802 A1, 2014 ; Location in patent: Page/Page column 230 ;
  • Route2

    References

    • Zachariasse, Klaas A.; Druzhinin, Sergey I.; Bosch, Wilfried; Machinek, Reinhard Journal of the American Chemical Society, 2004 , vol. 126, # 6 p. 1705 - 1715

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   2.37858
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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