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CS-W001157 4
Total: USD 88.00

4-(Butylamino)-3-nitrobenzoic acid

  • CAS No. 120321-65-5

  • Cat. No. CS-0297699
  • Molecule weight238.24
  • Purity95+%
  • MDL No.None

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

4-(Butylamino)-3-nitrobenzoic acid|CS-0297699

Structure of 120321-65-5

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General Information

  • CAS No. 120321-65-5
  • Cat. No. CS-0297699
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄N₂O₄
  • Molecular Weight 238.24
  • Synonym(s) 4-BUTYLAMINO-3-NITRO-BENZOIC ACID
  • SMILES CCCCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Janssen Pharmaceutica N.V. Patent: US4943574 A1, 1990 ;
  • Route2

    References

    • Karpen, Jeffrey; Kirk, Sarah; Andrade, Adriana; Schaffer, Michelle; Melich, Kenneth Patent: US2014/18422 A1, 2014 ; Location in patent: Paragraph 0113 ;

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   92.47
  • LogP   2.505
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   6

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