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CS-W001157 4
Total: USD 88.00

3-Amino-4-phenylbutan-2-one hydrochloride

  • CAS No. 5440-27-7

  • Cat. No. CS-0465807
  • Purity≥98%
  • MDL No.None

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

3-Amino-4-phenylbutan-2-one hydrochloride|CS-0465807

Structure of 5440-27-7

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General Information

  • CAS No. 5440-27-7
  • Cat. No. CS-0465807
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄ClNO
  • Molecular Weight 199.68
  • Synonym(s) amino-2 phenyl-1 butanone-3 chlorhydrate
  • SMILES CC(=O)C(CC1=CC=CC=C1)N.Cl

Synthesis

  • Route1
    • N-(3-Oxo-1-phenylbutan-2-yl)acetamide|CS-1150982
      5463-26-3
    • ~80%
    • 3-Amino-4-phenylbutan-2-one hydrochloride|CS-0465807
      5440-27-7

    References

    • Takeda Chemical Industries, Ltd. Patent: US5489602 A1, 1996 ;
  • Route2
    • null|null
      5440-25-5
    • ~%
    • 3-Amino-4-phenylbutan-2-one hydrochloride|CS-0465807
      5440-27-7

    References

    • Hoy; Hartung Journal of Organic Chemistry, 1958 , vol. 23, p. 967,970
  • Route3
    • null|null
      55902-35-7
    • ~%
    • 3-Amino-4-phenylbutan-2-one hydrochloride|CS-0465807
      5440-27-7

    References

    • Marcot, Bernard; Rabaron, Alain; Viel, Claude; Bellec, Christian; Deswarte, Stephane; Maitte, Pierre Canadian Journal of Chemistry, 1981 , vol. 59, p. 1224 - 1234

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-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.09
  • LogP   1.5672
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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