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CS-W001157 4
Total: USD 88.00

6-Benzamidohexanoic acid

  • CAS No. 956-09-2

  • Cat. No. CS-0321641
  • Purity≥98%
  • MDL No.None

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

6-Benzamidohexanoic acid|CS-0321641

Structure of 956-09-2

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General Information

  • CAS No. 956-09-2
  • Cat. No. CS-0321641
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₇NO₃
  • Molecular Weight 235.28
  • Synonym(s) Benzoylaminocaproicacid
  • SMILES O=C(O)CCCCCNC(C1=CC=CC=C1)=O

Synthesis

  • Route1

    References

    • Andrianov, Victor; Gailite, Vija; Lola, Daina; Loza, Einars; Semenikhina, Valentina; Kalvinsh, Ivars; Finn, Paul; Petersen, Kamille Dumong; Ritchie, James W.A.; Khan, Nagma; Tumber, Anthony; Collins, Laura S.; Vadlamudi, Sree M.; Bjoerkling, Fredrik; Sehested, Maxwell European Journal of Medicinal Chemistry, 2009 , vol. 44, # 3 p. 1067 - 1085
  • Route2
    • null|null
      32039-15-9
    • ~67%
    • 6-Benzamidohexanoic acid|CS-0321641
      956-09-2

    References

    • Jung, Manfred; Brosch, Gerald; Koelle, Doris; Scherf, Hans; Gerhaeuser, Clarissa; Loidl, Peter Journal of Medicinal Chemistry, 1999 , vol. 42, # 22 p. 4669 - 4679
  • Route3
    • null|null
      18159-76-7
    • ~%
    • 6-Benzamidohexanoic acid|CS-0321641
      956-09-2

    References

    • Leone-Bay; Freeman; O'Toole; Rosario-Gray; Salo-Kostmayer; Tai; Mercogliano; Baughman Journal of Medicinal Chemistry, 2000 , vol. 43, # 19 p. 3573 - 3576

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H315-H318-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   2.0614
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   7

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