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CS-W001157 4
Total: USD 88.00

4-Isopropyl-3-methylaniline hydrochloride

  • CAS No. 4534-11-6

  • Cat. No. CS-0033809
  • Molecule weight185.69
  • Purity≥95%
  • MDL No.MFCD00156562

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

4-Isopropyl-3-methylaniline hydrochloride|CS-0033809

Structure of 4534-11-6

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General Information

  • CAS No. 4534-11-6
  • Cat. No. CS-0033809
  • Purity ≥95%
  • MDL No. MFCD00156562
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₆ClN
  • Molecular Weight 185.69
  • Synonym(s) 3-Methyl-4-isopropylaniline hydrochloride
  • SMILES NC1=CC=C(C(C)C)C(C)=C1.[H]Cl

Synthesis

  • Route1
    • null|null
      64123-64-4
    • ~95%
    • 4-Isopropyl-3-methylaniline hydrochloride|CS-0033809
      4534-11-6

    References

    • American Cyanamid Company Patent: US4165231 A1, 1979 ;
  • Route2
    • null|null
      4514-88-9
    • ~42%
    • 4-Isopropyl-3-methylaniline hydrochloride|CS-0033809
      4534-11-6

    References

    • Koval'skaya, S. S.; Kozlov, N. G.; Shavyrin, S. V. Chemistry of Natural Compounds, 1991 , vol. 27, # 1 p. 24 - 27 Khimiya Prirodnykh Soedinenii, 1991 , # 1 p. 29 - 32

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   3.12242
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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