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3-Amino-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one

  • CAS No. 86499-35-6

  • Cat. No. CS-0004295
  • Molecule weight176.22
  • Purity≥90%
  • MDL No.MFCD02258897

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

3-Amino-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one|CS-0004295

Structure of 86499-35-6

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General Information

  • CAS No. 86499-35-6
  • Cat. No. CS-0004295
  • Purity ≥90%
  • MDL No. MFCD02258897
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂O
  • Molecular Weight 176.22
  • Synonym(s) Benazepril Intermediate
  • SMILES O=C1NC2=CC=CC=C2CCC1N

Synthesis

  • Route1
    • null|null
      97278-68-7
    • ~99%
    • 3-Amino-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one|CS-0004295
      86499-35-6

    References

    • Lin, Wenqing; Zhang, Xiaomei; He, Ze; Jin, Yi; Gong, Liuzhu; Mi, Aiqiao Synthetic Communications, 2002 , vol. 32, # 21 p. 3279 - 3284
  • Route2
    • null|null
      88372-41-2
    • ~%
    • 3-Amino-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one|CS-0004295
      86499-35-6

    References

    • US4575503 A1, ; US4410520 A1, ; US4473575 A1, ;
  • Route3

    References

    • US2002/25957 A1, ;

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   55.12
  • LogP   0.8986
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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