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CS-W001157 4
Total: USD 88.00

3-Amino-2-benzylpropanoic acid

  • CAS No. 95598-13-3

  • Cat. No. CS-0462697
  • Purity≥98%
  • MDL No.MFCD01549677

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

3-Amino-2-benzylpropanoic acid|CS-0462697

Structure of 95598-13-3

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General Information

  • CAS No. 95598-13-3
  • Cat. No. CS-0462697
  • Purity ≥98%
  • MDL No. MFCD01549677
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₂
  • Molecular Weight 179.22
  • Synonym(s) 2-AMINOMETHYL-3-PHENYL-PROPIONIC ACID
  • SMILES C1=CC=C(C=C1)CC(CN)C(=O)O

Synthesis

  • Route1
    • null|null
      943321-35-5
    • ~98%
    • 3-Amino-2-benzylpropanoic acid|CS-0462697
      95598-13-3

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2008/121786 A1, 2008 ; Location in patent: Page/Page column 44 ; WO 2008/121786 A1
  • Route2
    • null|null
      1315487-61-6
    • ~88%
    • 3-Amino-2-benzylpropanoic acid|CS-0462697
      95598-13-3

    References

    • Lin, Daizong; Lv, Li; Wang, Jiang; Ding, Xiao; Jiang, Hualiang; Liu, Hong Journal of Organic Chemistry, 2011 , vol. 76, # 16 p. 6649 - 6656
  • Route3
    • null|null
      131932-59-7
    • ~66%
    • 3-Amino-2-benzylpropanoic acid|CS-0462697
      95598-13-3

    References

    • Juaristi, Eusebio; Quintana, Delia; Lamatsch, Bernd; Seebach, Dieter Journal of Organic Chemistry, 1991 , vol. 56, # 7 p. 2553 - 2557

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.32
  • LogP   0.8886
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   4

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