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CS-W001157 4
Total: USD 88.00

3-(Benzylamino)butanoic acid

  • CAS No. 91246-78-5

  • Cat. No. CS-0070404
  • Purity≥97%
  • MDL No.MFCD00045920

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

3-(Benzylamino)butanoic acid|CS-0070404

Structure of 91246-78-5

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General Information

  • CAS No. 91246-78-5
  • Cat. No. CS-0070404
  • Purity ≥97%
  • MDL No. MFCD00045920
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅NO₂
  • Molecular Weight 193.24
  • Synonym(s) Butanoic acid, 3-[(phenylmethyl)amino]-
  • SMILES O=C(O)CC(C)NCC1=CC=CC=C1

Synthesis

  • Route1
    • null|null
      3724-65-0
    • null|null
      100-46-9
    • ~85%
    • 3-(Benzylamino)butanoic acid|CS-0070404
      91246-78-5

    References

    • Dzygiel, Pawel; Monti, Chiara; Piarulli, Umberto; Gennari, Cesare Organic and Biomolecular Chemistry, 2007 , vol. 5, # 21 p. 3464 - 3471
  • Route2
    • Ethyl 3-(benzylamino)butanoate|CS-0361483
      6335-80-4
    • ~%
    • 3-(Benzylamino)butanoic acid|CS-0070404
      91246-78-5

    References

    • Decombe Annales de Chimie (Cachan, France), 1932 , vol. <10> 18, p. 133 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1930 , vol. 190, p. 269
  • Route3
    • null|null
      100-46-9
    • ~%
    • 3-(Benzylamino)butanoic acid|CS-0070404
      91246-78-5

    References

    • Williams; Lee; Miller; Anderson Journal of the American Chemical Society, 1989 , vol. 111, # 3 p. 1073 - 1081

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   49.33
  • LogP   1.6394
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   5

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