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CS-W001157 4
Total: USD 88.00

Isobutamben

  • CAS No. 94-14-4

  • Cat. No. CS-0013624
  • Purity≥98%
  • MDL No.MFCD00017110

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

Isobutamben|CS-0013624

Structure of 94-14-4

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General Information

  • CAS No. 94-14-4
  • Cat. No. CS-0013624
  • Purity ≥98%
  • MDL No. MFCD00017110
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅NO₂
  • Molecular Weight 193.25
  • Synonym(s) None
  • SMILES O=C(C1=CC=C(C=C1)N)OCC(C)C

Synthesis

  • Route1
    • null|null
      99-78-5
    • ~99%
    • In-stock
      Isobutamben|CS-0013624
      94-14-4

    References

    • Morogina; Nasibulin; Klyuev Petroleum Chemistry, 1998 , vol. 38, # 4 p. 251 - 255
  • Route2
    • null|null
      99-78-5
    • ~5%
    • In-stock
      Isobutamben|CS-0013624
      94-14-4
    • null|null
      76479-99-7
    • null|null
      76480-01-8

    References

    • Journal of Organic Chemistry, , vol. 46, # 8 p. 1638 - 1642
  • Route3

    References

    • Petroleum Chemistry, , vol. 38, # 4 p. 251 - 255

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H303-H317-H401
Precautionary Statements : P261-P272-P273-P280-P302+P352-P312-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   2.0816
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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