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CS-W001157 4
Total: USD 88.00

[3-(1H-Imidazol-1-ylmethyl)phenyl]amine dihydrochloride

  • CAS No. 120107-85-9

  • Cat. No. CS-0208379
  • Purity≥98%
  • MDL No.MFCD07801129

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

[3-(1H-Imidazol-1-ylmethyl)phenyl]amine dihydrochloride|CS-0208379

Structure of 120107-85-9

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General Information

  • CAS No. 120107-85-9
  • Cat. No. CS-0208379
  • Purity ≥98%
  • MDL No. MFCD07801129
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁N₃
  • Molecular Weight 173.21
  • Synonym(s) 3-(1-Imidazolylmethyl)aniline
  • SMILES C1=CC(=CC(=C1)N)CN2C=CN=C2

Synthesis

  • Route1
    • null|null
      892393-24-7
    • ~88%
    • [3-(1H-Imidazol-1-ylmethyl)phenyl]amine dihydrochloride|CS-0208379
      120107-85-9

    References

    • SCHERING CORPORATION Patent: WO2006/65794 A1, 2006 ; Location in patent: Page/Page column 183 ;
  • Route2
    • null|null
      56643-75-5
    • ~82%
    • [3-(1H-Imidazol-1-ylmethyl)phenyl]amine dihydrochloride|CS-0208379
      120107-85-9

    References

    • O'Neill, Paul M.; Shone, Alison E.; Stanford, Deborah; Nixon, Gemma; Asadollahy, Eghbaleh; Park, B. Kevin; Maggs, James L.; Roberts, Phil; Stocks, Paul A.; Biagini, Giancarlo; Bray, Patrick G.; Davies, Jill; Berry, Neil; Hall, Charlotte; Rimmer, Karen; Winstanley, Peter A.; Hindley, Stephen; Bambal, Ramesh B.; Davis, Charles B.; Bates, Martin; Gresham, Stephanie L.; Brigandi, Richard A.; Gomez-de-las-Heras, Federico M.; Gargallo, Domingo V.; Parapini, Silvia; Vivas, Livia; Lander, Hollie; Taramelli, Donatella; Ward, Stephen A. Journal of Medicinal Chemistry, 2009 , vol. 52, # 7 p. 1828 - 1844
  • Route3

    References

    • US4873238 A1, ;

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-H312-H315-H319-H332-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   1.5136
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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