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CS-W001157 4
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Methyl 3-amino-4-(propylamino)benzoate

  • CAS No. 762295-22-7

  • Cat. No. CS-0209570
  • Molecule weight208.26
  • Purity≥98%
  • MDL No.MFCD14621790

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

Methyl 3-amino-4-(propylamino)benzoate|CS-0209570

Structure of 762295-22-7

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General Information

  • CAS No. 762295-22-7
  • Cat. No. CS-0209570
  • Purity ≥98%
  • MDL No. MFCD14621790
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆N₂O₂
  • Molecular Weight 208.26
  • Synonym(s) Benzoic acid, 3-amino-4-(propylamino)-, methyl ester (9CI)
  • SMILES CCCNC1=C(C=C(C=C1)C(=O)OC)N

Synthesis

  • Route1
    • Methyl 3-nitro-4-(propylamino)benzoate|CS-0776552
      128429-03-8
    • ~%
    • Methyl 3-amino-4-(propylamino)benzoate|CS-0209570
      762295-22-7

    References

    • PFIZER PRODUCTS INC. Patent: WO2007/69053 A1, 2007 ; Location in patent: Page/Page column 28 ; WO 2007/069053 A1
  • Route2

    References

    • Chen, Li-Hsun; Chuang, Ying-Sheng; Narhe, Bharat D.; Sun, Chung-Ming RSC Advances, 2013 , vol. 3, # 33 p. 13934 - 13943
  • Route3

    References

    • Chen, Li-Hsun; Chuang, Ying-Sheng; Narhe, Bharat D.; Sun, Chung-Ming RSC Advances, 2013 , vol. 3, # 33 p. 13934 - 13943

Safety Information

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Quality Control

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Computational Chemistry Data

  • TPSA   64.35
  • LogP   1.8773
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   4

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