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CAS 5441-40-7

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1-Methyl-1,4-diazepan-5-one

Description:
1-Methyl-1,4-diazepan-5-one, with the CAS number 5441-40-7, is a heterocyclic organic compound featuring a seven-membered ring containing two nitrogen atoms. This compound is characterized by its diazepane structure, which includes a carbonyl group (ketone) at the 5-position and a methyl group at the 1-position. The presence of nitrogen atoms in the ring contributes to its basicity and potential for forming hydrogen bonds, influencing its solubility and reactivity. Typically, compounds of this nature exhibit moderate polarity, making them soluble in polar solvents while having limited solubility in non-polar solvents. 1-Methyl-1,4-diazepan-5-one may be of interest in medicinal chemistry due to its structural similarity to various bioactive compounds. Its properties can be further explored in the context of drug development, particularly in the synthesis of pharmaceuticals or as intermediates in organic synthesis. Safety data and handling precautions should be considered, as with all chemical substances, to ensure proper laboratory practices.
Formula:C6H12N2O
InChI:InChI=1/C6H12N2O/c1-8-4-2-6(9)7-3-5-8/h2-5H2,1H3,(H,7,9)
SMILES:CN1CCC(=NCC1)O
Synonyms:
  • 5H-1,4-Diazepin-5-one, hexahydro-1-methyl-
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