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1-Benzhydrylazetidine-3-carbonitrile

  • CAS No. 36476-86-5

  • Cat. No. CS-0001915
  • Purity≥95%
  • MDL No.MFCD00158910

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

1-Benzhydrylazetidine-3-carbonitrile|CS-0001915

Structure of 36476-86-5

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General Information

  • CAS No. 36476-86-5
  • Cat. No. CS-0001915
  • Purity ≥95%
  • MDL No. MFCD00158910
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₆N₂
  • Molecular Weight 248.32
  • Synonym(s) 3-Cyano-1-(diphenylmethyl)azetidine
  • SMILES N#CC1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3

Description

1-Benzhydrylazetidine-3-carbonitrile features a rigid benzhydryl scaffold paired with an azetidine ring bearing a nitrile group at the 3-position. This combination delivers enhanced metabolic stability and improved membrane permeability, enabling efficient integration into bioactive small molecules. The electron-withdrawing nitrile moiety modulates local basicity and facilitates strategic hydrogen bonding in target engagement.

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P280-P304+P340-P405-P501

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Computational Chemistry Data

  • TPSA   27.03
  • LogP   3.23138
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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