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CS-W001157 4
Total: USD 88.00

3-(3-Aminopropyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one

  • CAS No. 29047-52-7

  • Cat. No. CS-0544001
  • Molecule weight247.34
  • Purity≥98%
  • MDL No.None

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

3-(3-Aminopropyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one|CS-0544001

Structure of 29047-52-7

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General Information

  • CAS No. 29047-52-7
  • Cat. No. CS-0544001
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₁N₃O
  • Molecular Weight 247.34
  • Synonym(s) 12-(3-Aminopropyl)-cytisine
  • SMILES C1C2CN(CC1C3=CC=CC(=O)N3C2)CCCN

Synthesis

  • Route1
    • null|null
      449796-89-8
    • ~99%
    • 3-(3-Aminopropyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one|CS-0544001
      29047-52-7

    References

    • Shishkin; Lobov; Baibulatova; Vlasova; Spirikhin; Dokichev Chemistry of Natural Compounds, 2012 , vol. 48, # 3 p. 436 - 439 Khim. Prir. Soedin., 2012 , vol. 48, # 3 p. 393 - 396,4
  • Route2

    References

    • Shishkin; Lobov; Baibulatova; Vlasova; Spirikhin; Dokichev Chemistry of Natural Compounds, 2012 , vol. 48, # 3 p. 436 - 439 Khim. Prir. Soedin., 2012 , vol. 48, # 3 p. 393 - 396,4

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   51.26
  • LogP   0.6162
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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