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7-Amino-1-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

  • CAS No. 53841-98-8

  • Cat. No. CS-0057305
  • Purity≥98%
  • MDL No.MFCD12172570

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

7-Amino-1-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one|CS-0057305

Structure of 53841-98-8

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General Information

  • CAS No. 53841-98-8
  • Cat. No. CS-0057305
  • Purity ≥98%
  • MDL No. MFCD12172570
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄N₂O
  • Molecular Weight 190.24
  • Synonym(s) 7-amino-1-methyl-4,5-dihydro-3H-1-benzazepin-2-one
  • SMILES O=C1N(C)C2=CC=C(N)C=C2CCC1

Synthesis

  • Route1
    • null|null
      1022954-12-6
    • ~%
    • 7-Amino-1-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one|CS-0057305
      53841-98-8

    References

    • CEPHALON, INC.; PHARMACOPEIA DRUG DISCOVERY, INC. Patent: WO2008/51547 A1, 2008 ; Location in patent: Page/Page column 303 ; WO 2008/051547 A1
  • Route2

    References

    • Weinberg, Linda R.; Albom, Mark S.; Angeles, Thelma S.; Husten, Jean; Lisko, Joseph G.; McHugh, Robert J.; Milkiewicz, Karen L.; Murthy, Seetha; Ott, Gregory R.; Theroff, Jay P.; Tripathy, Rabindranath; Underiner, Ted L.; Zificsak, Craig A.; Dorsey, Bruce D. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 1 p. 164 - 167
  • Route3

    References

    • Weinberg, Linda R.; Albom, Mark S.; Angeles, Thelma S.; Husten, Jean; Lisko, Joseph G.; McHugh, Robert J.; Milkiewicz, Karen L.; Murthy, Seetha; Ott, Gregory R.; Theroff, Jay P.; Tripathy, Rabindranath; Underiner, Ted L.; Zificsak, Craig A.; Dorsey, Bruce D. Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 1 p. 164 - 167

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

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Computational Chemistry Data

  • TPSA   46.33
  • LogP   1.5679
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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