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CS-W001157 4
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4-(1-Aminoethyl)benzonitrile hydrochloride

  • CAS No. 1177316-44-7

  • Cat. No. CS-0305302
  • Molecule weight182.65
  • Purity≥97%
  • MDL No.None

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

4-(1-Aminoethyl)benzonitrile hydrochloride|CS-0305302

Structure of 1177316-44-7

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General Information

  • CAS No. 1177316-44-7
  • Cat. No. CS-0305302
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁ClN₂
  • Molecular Weight 182.65
  • Synonym(s) None
  • SMILES N#CC1=CC=C(C=C1)C(N)C.Cl

Description

4-(1-Aminoethyl)benzonitrile hydrochloride offers a bifunctional scaffold combining a pendant amine and a nitrile group, enabling direct conjugation or metal coordination. This bench-stable salt integrates readily into synthetic sequences requiring polar, nitrogen-rich intermediates.

Application

4-(1-Aminoethyl)benzonitrile hydrochloride serves as a versatile synthetic intermediate for pharmaceutical and agrochemical applications. The molecule features a pendant nitrile group and a primary amine functionality, enabling straightforward derivatization via amidation, alkylation, or cyclization reactions. Its hydrochloride salt form enhances bench stability and solubility in polar solvents, facilitating purification and handling in standard synthetic workflows.

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 : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   1.99978
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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