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CS-W001157 4
Total: USD 88.00

(3-Methyl-4-nitrophenyl)methanamine

  • CAS No. 229633-56-1

  • Cat. No. CS-0098169
  • Molecule weight166.18
  • Purity≥98%
  • MDL No.None

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

(3-Methyl-4-nitrophenyl)methanamine|CS-0098169

Structure of 229633-56-1

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General Information

  • CAS No. 229633-56-1
  • Cat. No. CS-0098169
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀N₂O₂
  • Molecular Weight 166.18
  • Synonym(s) 3-Methyl-4-nitrobenzylamine
  • SMILES NCC1=CC=C([N+]([O-])=O)C(C)=C1

Synthesis

  • Route1
    • 3-Methyl-4-nitrobenzamide|CS-0316770
      99584-85-7
    • ~%
    • (3-Methyl-4-nitrophenyl)methanamine|CS-0098169
      229633-56-1

    References

    • BIOGEN IDEC MA INC.; VERNALIS RESEARCH LIMITED Patent: WO2008/88927 A1, 2008 ; Location in patent: Page/Page column 27 ; WO 2008/088927 A1
  • Route2
    • null|null
      946856-95-7
    • ~60%
    • (3-Methyl-4-nitrophenyl)methanamine|CS-0098169
      229633-56-1

    References

    • Baumgartner, Corinne; Eberle, Christian; Diederich, Francois; Lauw, Susan; Rohdich, Felix; Eisenreich, Wolfgang; Bacher, Adelbert Helvetica Chimica Acta, 2007 , vol. 90, # 6 p. 1043 - 1068
  • Route3

    References

    • Tscherniac Patent: DE134979 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   69.16
  • LogP   1.36192
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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