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3-Amino-5-methylbenzonitrile

  • CAS No. 186551-97-3

  • Cat. No. CS-0198299
  • Purity≥97%
  • MDL No.None

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

3-Amino-5-methylbenzonitrile|CS-0198299

Structure of 186551-97-3

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General Information

  • CAS No. 186551-97-3
  • Cat. No. CS-0198299
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂
  • Molecular Weight 132.16
  • Synonym(s) 3-AMino-5-Methyl-benzonitrile
  • SMILES N#CC1=CC(C)=CC(N)=C1

Synthesis

  • Route1

    References

    • Choi-Sledeski, Yong Mi; McGarry, Daniel G.; Green, Daniel M.; Mason, Helen J.; Becker, Michael R.; Davis, Roderick S.; Ewing, William R.; Dankulich, William P.; Manetta, Vincent E.; Morris, Robert L.; Spada, Alfred P.; Cheney, Daniel L.; Brown, Karen D.; Colussi, Dennis J.; Valeria, Chu; Heran, Christopher L.; Morgan, Suzanne R.; Bentley, Ross G.; Leadley, Robert J.; Maignan, Sebastien; Guilloteau, Jean-Pierre; Dunwiddie, Christopher T.; Pauls, Henry W. Journal of Medicinal Chemistry, 1999 , vol. 42, # 18 p. 3572 - 3587

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   1.4489
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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