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1-Amino-2-naphthonitrile

  • CAS No. 3100-67-2

  • Cat. No. CS-0064066
  • Purity≥97%
  • MDL No.None

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

1-Amino-2-naphthonitrile|CS-0064066

Structure of 3100-67-2

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General Information

  • CAS No. 3100-67-2
  • Cat. No. CS-0064066
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light, stored under argon
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈N₂
  • Molecular Weight 168.19
  • Synonym(s) 1-amino-2-naphthalenecarbonitrile
  • SMILES N#CC1=CC=C2C=CC=CC2=C1N

Description

1-Amino-2-naphthonitrile features a naphthalene core bearing an amino group at position 1 and a nitrile moiety at position 2, creating a rigid, electron-deficient scaffold ideal for conjugated systems. This compound integrates readily into heterocyclic syntheses and serves as a key building block in pharmaceutical and materials chemistry due to its dual functionality and stability under standard conditions.

Application

1-Amino-2-naphthonitrile serves as a versatile building block in the synthesis of naphthoquinone derivatives and polycyclic heterocycles. Its amino and nitrile groups enable sequential functionalization, including electrophilic substitution, amidation, and cyclization reactions. The compound exhibits good bench stability and facilitates efficient purification via recrystallization, making it suitable for scalable medicinal chemistry campaigns and API intermediate 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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   2.29368
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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