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CS-W001157 4
Total: USD 88.00

3-((Dimethylamino)methyl)-1H-indole-4-carbonitrile

  • CAS No. 105907-63-9

  • Cat. No. CS-0509653
  • Molecule weight199.25
  • Purity≥98%
  • MDL No.MFCD11112015

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

3-((Dimethylamino)methyl)-1H-indole-4-carbonitrile|CS-0509653

Structure of 105907-63-9

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General Information

  • CAS No. 105907-63-9
  • Cat. No. CS-0509653
  • Purity ≥98%
  • MDL No. MFCD11112015
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃N₃
  • Molecular Weight 199.25
  • Synonym(s) Ethyl 3-dimethylaminomethylindole-2-carboxylate
  • SMILES CN(C)CC1=CNC2=C1C(C#N)=CC=C2

Synthesis

  • Route1
    • In-stock
      4-Cyanoindole|CS-W007669
      16136-52-0
    • null|null
      50-00-0
    • null|null
      506-59-2
    • ~%
    • 3-((Dimethylamino)methyl)-1H-indole-4-carbonitrile|CS-0509653
      105907-63-9

    References

    • MERCK SHARP andamp; DOHME CORP.; GUO, Liangqin; LIU, Jian; NARGUND, Ravi, P.; PASTERNAK, Alexander; YANG, Lihu; YE, Zhixiong Patent: WO2010/51177 A1, 2010 ; Location in patent: Page/Page column 42 ; WO 2010/051177 A1
  • Route2

    References

    • Yamada, Fumio; Kobayashi, Kensuke; Shimizu, Aya; Aoki, Naokatsu; Somei, Masanori Heterocycles, 1993 , vol. 36, # 12 p. 2783 - 2804
  • Route3

    References

    • Uhle Journal of the American Chemical Society, 1949 , vol. 71, p. 761,763

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   42.82
  • LogP   2.10118
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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