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CS-W001157 4
Total: USD 88.00

1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine

  • CAS No. 39161-58-5

  • Cat. No. CS-0126747
  • Purity≥98%
  • MDL No.MFCD06245444

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

1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine|CS-0126747

Structure of 39161-58-5

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General Information

  • CAS No. 39161-58-5
  • Cat. No. CS-0126747
  • Purity ≥98%
  • MDL No. MFCD06245444
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄N₂
  • Molecular Weight 162.23
  • Synonym(s) N,N'-Tetramethylen-o-phenylendiamin
  • SMILES C12=CC=CC=C1NCCCCN2

Synthesis

  • Route1
    • 2,3-Dihydro-1H-pyrrolo[1,2-a]benzimidazole|CS-0237756
      7724-48-3
    • ~36%
    • 2-Pyrrolidinoaniline|CS-0206021
      21627-58-7
    • 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine|CS-0126747
      39161-58-5

    References

    • Shvidenko, Tatyana; Nazarenko, Kostiantyn; Shvidenko, Konstantin; Kostyuk, Aleksandr Tetrahedron Letters, 2014 , vol. 55, # 1 p. 279 - 281
  • Route2
    • null|null
      39161-59-6
    • ~%
    • 1,2,3,4,5,6-Hexahydro-1,6-benzodiazocine|CS-0126747
      39161-58-5

    References

    • Stetter Chemische Berichte, 1953 , vol. 86, p. 197,203

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   24.06
  • LogP   2.3042
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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