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CS-W001157 4
Total: USD 88.00

2-(Benzo[d][1,3]dioxol-5-ylamino)ethan-1-ol

  • CAS No. 81329-90-0

  • Cat. No. CS-0358804
  • Molecule weight181.19
  • Purity≥97%
  • MDL No.None

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

2-(Benzo[d][1,3]dioxol-5-ylamino)ethan-1-ol|CS-0358804

Structure of 81329-90-0

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General Information

  • CAS No. 81329-90-0
  • Cat. No. CS-0358804
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₃
  • Molecular Weight 181.19
  • Synonym(s) 2-(1,3-Benzodioxol-5-ylamino)ethanol
  • SMILES C1=CC2=C(C=C1NCCO)OCO2

Synthesis

  • Route1
    • null|null
      14268-66-7
    • null|null
      540-51-2
    • ~%
    • 2-(Benzo[d][1,3]dioxol-5-ylamino)ethan-1-ol|CS-0358804
      81329-90-0

    References

    • US6548515 B1, ;
  • Route2
    • null|null
      14268-66-7
    • null|null
      627-11-2
    • ~60%
    • 2-(Benzo[d][1,3]dioxol-5-ylamino)ethan-1-ol|CS-0358804
      81329-90-0

    References

    • Kumar, Ajay; Alegria, Antonio E. Journal of Heterocyclic Chemistry, 2010 , vol. 47, # 6 p. 1275 - 1282
  • Route3
    • null|null
      14268-66-7
    • null|null
      107-07-3
    • ~31%
    • 2-(Benzo[d][1,3]dioxol-5-ylamino)ethan-1-ol|CS-0358804
      81329-90-0

    References

    • Ishibashi; Okada; Akiyama; et al. Journal of Heterocyclic Chemistry, 1986 , vol. 23, # 4 p. 1163 - 1166

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

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Computational Chemistry Data

  • TPSA   50.72
  • LogP   0.8195
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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