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CS-W001157 4
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3-tert-Butyl-1-(3-methylphenyl)-1H-pyrazol-5-amine

  • CAS No. 898537-77-4

  • Cat. No. CS-0142923
  • Molecule weight229.32
  • Purity≥95%
  • MDL No.None

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

3-tert-Butyl-1-(3-methylphenyl)-1H-pyrazol-5-amine|CS-0142923

Structure of 898537-77-4

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General Information

  • CAS No. 898537-77-4
  • Cat. No. CS-0142923
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉N₃
  • Molecular Weight 229.32
  • Synonym(s) 3-(tert-Butyl)-1-(m-tolyl)-1H-pyrazol-5-amine
  • SMILES NC1=CC(C(C)(C)C)=NN1C2=CC=CC(C)=C2

Synthesis

  • Route1

    References

    • Li, Xingzhou; Zhou, Xinming; Zhang, Jing; Wang, Lili; Long, Long; Zheng, Zhibing; Li, Song; Zhong, Wu Molecules, 2014 , vol. 19, # 2 p. 2004 - 2028
  • Route2

    References

    • Getlik, Matthaeus; Gruetter, Christian; Simard, Jeffrey R.; Klueter, Sabine; Rabiller, Matthias; Rode, Haridas B.; Robubi, Armin; Rauh, Daniel Journal of Medicinal Chemistry, 2009 , vol. 52, # 13 p. 3915 - 3926 Title/Abstract Full Text View citing articles Show Details Simard, Jeffrey R.; Getlik, Matthaeus; Gruetter, Christian; Pawar, Vijaykumar; Wulfert, Sabine; Rabiller, Matthias; Rauh, Daniel Journal of the American Chemical Society, 2009 , vol. 131, # 37 p. 13286 - 13296

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

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Computational Chemistry Data

  • TPSA   43.84
  • LogP   3.06042
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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