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CS-W001157 4
Total: USD 88.00

1-(5-(Aminomethyl)-2-nitrophenyl)ethanol

  • CAS No. 138957-91-2

  • Cat. No. CS-0163396
  • Purity≥95%
  • MDL No.None

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

1-(5-(Aminomethyl)-2-nitrophenyl)ethanol|CS-0163396

Structure of 138957-91-2

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General Information

  • CAS No. 138957-91-2
  • Cat. No. CS-0163396
  • Purity ≥95%
  • MDL No. None
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂N₂O₃
  • Molecular Weight 196.20
  • Synonym(s) 1-[5-(Aminomethyl)-2-nitrophenyl]ethanol
  • SMILES CC(O)C1=CC(CN)=CC=C1[N+]([O-])=O

Description

1-(5-(Aminomethyl)-2-nitrophenyl)ethanol features a benzene ring bearing both a para-nitro group and an ortho-aminomethyl substituent, enabling dual functionalization. The pendant ethanol side chain enhances solubility and provides a handle for further derivatization. This scaffold integrates electron-deficient and nucleophilic moieties, supporting its use in bioconjugation and medicinal chemistry applications under standard conditions.

Application

1-(5-(Aminomethyl)-2-nitrophenyl)ethanol serves as a versatile intermediate for the synthesis of bioactive heterocycles and pharmaceutical scaffolds. Its dual functionality—primary amine and nitro group—enables sequential transformations, including reduction to amino derivatives, coupling reactions, and cyclization protocols. The molecule exhibits good bench stability and facilitates straightforward purification, making it suitable for multi-step synthetic sequences in medicinal chemistry and process development.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   89.39
  • LogP   1.1068
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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