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CAS 78551-31-2

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Hexahydro-3-(2-methylpropyl)-2H-1,4-diazepin-2-one

Description:
Hexahydro-3-(2-methylpropyl)-2H-1,4-diazepin-2-one, with CAS number 78551-31-2, is a chemical compound characterized by its bicyclic structure, which includes a diazepine ring. This compound features a hexahydro framework, indicating that it is saturated and contains six carbon atoms in a cyclic arrangement. The presence of a 2-methylpropyl group contributes to its hydrophobic characteristics, potentially influencing its solubility and reactivity. As a diazepine derivative, it may exhibit biological activity, possibly interacting with neurotransmitter systems, although specific pharmacological properties would depend on further empirical studies. The compound's molecular structure suggests it may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals targeting the central nervous system. Additionally, its stability and reactivity can be influenced by the functional groups present, making it a candidate for various synthetic applications. Overall, while specific data on its physical properties may vary, the structural characteristics provide insight into its potential uses and behavior in chemical contexts.
Formula:C9H18N2O
InChI:InChI=1S/C9H18N2O/c1-7(2)6-8-9(12)11-5-3-4-10-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)
InChI key:InChIKey=NISDQXINCGKUDS-UHFFFAOYSA-N
SMILES:C(C(C)C)C1C(=O)NCCCN1
Synonyms:
  • 3-Isobutyl-1,4-diazepan-2-one
  • 2H-1,4-Diazepin-2-one, hexahydro-3-(2-methylpropyl)-
  • Hexahydro-3-(2-methylpropyl)-2H-1,4-diazepin-2-one
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