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CS-W001157 4
Total: USD 88.00

3-((Methylamino)methyl)benzonitrile

  • CAS No. 90389-96-1

  • Cat. No. CS-0135268
  • Purity≥98%
  • MDL No.MFCD09731650

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

3-((Methylamino)methyl)benzonitrile|CS-0135268

Structure of 90389-96-1

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General Information

  • CAS No. 90389-96-1
  • Cat. No. CS-0135268
  • Purity ≥98%
  • MDL No. MFCD09731650
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀N₂
  • Molecular Weight 146.19
  • Synonym(s) N-Methyl-N-(3-cyanobenzyl)amine
  • SMILES N#CC1=CC=CC(CNC)=C1

Synthesis

  • Route1
    • null|null
      74-89-5
    • In-stock
      3-(Bromomethyl)benzonitrile|CS-0005708
      28188-41-2
    • ~99%
    • In-stock
      3-((Methylamino)methyl)benzonitrile|CS-0135268
      90389-96-1

    References

    • MERCK SERONO S.A.; BOMBRUN, Agnes; QUATTROPANI, Anna; GONZALEZ, Jerome; DORBAIS, Jerome; KNIGHT, Chris; BAKER-GLENN, Charles Patent: WO2012/4287 A1, 2012 ; Location in patent: Page/Page column 93-94 ; WO 2012/004287 A1
  • Route2
    • In-stock
      3-Cyanobenzaldehyde|CS-W007808
      24964-64-5
    • null|null
      74-89-5
    • ~88%
    • In-stock
      3-((Methylamino)methyl)benzonitrile|CS-0135268
      90389-96-1

    References

    • Kumpaty, Hephzibah J.; Williamson, John S.; Bhattacharyya, Sukanta Synthetic Communications, 2003 , vol. 33, # 8 p. 1411 - 1416
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 27, # 9 p. 1111 - 1118

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   1.27768
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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