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CS-W001157 4
Total: USD 88.00

4-(Benzyl(methyl)amino)butan-2-one

  • CAS No. 16635-00-0

  • Cat. No. CS-0514478
  • Purity≥97%
  • MDL No.None

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

4-(Benzyl(methyl)amino)butan-2-one|CS-0514478

Structure of 16635-00-0

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General Information

  • CAS No. 16635-00-0
  • Cat. No. CS-0514478
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇NO
  • Molecular Weight 191.27
  • Synonym(s) 4-[benzyl(methyl)amino]butan-2-one
  • SMILES CC(CCN(C)CC1=CC=CC=C1)=O

Synthesis

  • Route1
    • null|null
      50-00-0
    • In-stock
      N-Methyl-1-phenylmethanamine|CS-0226149
      103-67-3
    • null|null
      67-63-0
    • ~98%
    • In-stock
      4-(Benzyl(methyl)amino)butan-2-one|CS-0514478
      16635-00-0

    References

    • SCHERING CORPORATION; PHARMACOPEIA DRUG DISCOVERY, INC. Patent: WO2005/68460 A1, 2005 ; Location in patent: Page/Page column 125-126 ; WO 2005/068460 A1
  • Route2
    • null|null
      50-00-0
    • In-stock
      N-Methyl-1-phenylmethanamine|CS-0226149
      103-67-3
    • null|null
      67-64-1
    • ~96%
    • In-stock
      4-(Benzyl(methyl)amino)butan-2-one|CS-0514478
      16635-00-0

    References

    • SCHERING CORPORATION; PHARMACOPEIA DRUG DISCOVERY, INC. Patent: WO2005/66147 A1, 2005 ; Location in patent: Page/Page column 122 ; WO 2005/066147 A1
  • Route3
    • null|null
      696660-97-6
    • null|null
      917-54-4
    • ~92%
    • In-stock
      4-(Benzyl(methyl)amino)butan-2-one|CS-0514478
      16635-00-0

    References

    • ELI LILLY AND COMPANY Patent: WO2005/92835 A1, 2005 ; Location in patent: Page/Page column 30 ; WO 2005/092835 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   20.31
  • LogP   2.0975
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   5

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