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2,3,4,5-Tetrahydro-1H-benzo[d]azepine hydrochloride

  • CAS No. 17379-01-0

  • Cat. No. CS-0052183
  • Purity≥97%
  • MDL No.MFCD08073397

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

2,3,4,5-Tetrahydro-1H-benzo[d]azepine hydrochloride|CS-0052183

Structure of 17379-01-0

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General Information

  • CAS No. 17379-01-0
  • Cat. No. CS-0052183
  • Purity ≥97%
  • MDL No. MFCD08073397
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄ClN
  • Molecular Weight 183.68
  • Synonym(s) 2,3,4,5-tetrahydro-1H-benzo[d]azepine HCL
  • SMILES C12=CC=CC=C1CCNCC2.Cl

Description

This bench-stable heterocycle features a saturated seven-membered ring fused to benzene, delivering enhanced metabolic stability and improved solubility. The hydrochloride salt form ensures excellent crystallinity and handling convenience, making it ideal for medicinal chemistry campaigns targeting CNS-active compounds.

Application

2,3,4,5-Tetrahydro-1H-benzo[d]azepine hydrochloride serves as a valuable heterocyclic building block in medicinal chemistry, enabling efficient access to bioactive scaffolds. Its stable, crystalline form facilitates handling and purification, while the protonated nitrogen enhances solubility and reactivity in standard functionalization protocols. The saturated seven-membered ring system provides a conformationally constrained platform for exploring structure–activity relationships in CNS-targeted drug discovery.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302+H312+H332-H314
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P330-P362+P364-P363-P405-P501

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Computational Chemistry Data

  • TPSA   12.03
  • LogP   1.7966
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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