Cas no 685859-01-2 (1-Methyl-1,4-diazepan-2-one hydrochloride)

1-Methyl-1,4-diazepan-2-one hydrochloride is a heterocyclic organic compound featuring a diazepane ring structure with a ketone group at the 2-position and a methyl substituent at the 1-position. The hydrochloride salt form enhances its stability and solubility, making it suitable for synthetic applications in pharmaceutical and chemical research. This compound serves as a versatile intermediate in the synthesis of biologically active molecules, particularly those targeting neurological and therapeutic pathways. Its well-defined structure and high purity ensure reliable performance in complex reactions, including amidation and alkylation processes. The hydrochloride derivative also facilitates handling and storage under standard laboratory conditions.
1-Methyl-1,4-diazepan-2-one hydrochloride structure
685859-01-2 structure
Product Name:1-Methyl-1,4-diazepan-2-one hydrochloride
CAS No:685859-01-2
MF:C6H13ClN2O
MW:164.633220434189
MDL:MFCD19443962
CID:1028856
PubChem ID:21962093
Update Time:2025-10-29

1-Methyl-1,4-diazepan-2-one hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 1-Methyl-1,4-diazepan-2-one hydrochloride
    • 1-methyl-2-oxo[1,4]diazepane hydrochloride
    • AK137218
    • FT-0685133
    • HT020
    • KB-219149
    • RP08597
    • SureCN4926922
    • hexahydro-1-methyl-2H-1,4-diazepin-2-one hydrochloride
    • 1-Methyl-1,4-diazepan-2-onehydrochloride
    • SY032800
    • MFCD19443962
    • DTXSID20620860
    • EN300-160143
    • 1-Methyl-1,4-diazepan-2-one--hydrogen chloride (1/1)
    • SCHEMBL4926922
    • AKOS015949297
    • J-504844
    • FTNDDOQJRISISV-UHFFFAOYSA-N
    • Hexahydro-1-methyl-2H-1,4-diazepin-2-one HCl
    • 1-methyl-1,4-diazepan-2-one;hydrochloride
    • 685859-01-2
    • CS-0052477
    • AMY15722
    • AS-33992
    • A867014
    • 1-Methyl-1,4-diazepan-2-one HCl
    • 1-methyl-2-oxo[1.4]diazepane hydrochloride
    • SB11654
    • DB-074044
    • MDL: MFCD19443962
    • Inchi: 1S/C6H12N2O.ClH/c1-8-4-2-3-7-5-6(8)9;/h7H,2-5H2,1H3;1H
    • InChI Key: FTNDDOQJRISISV-UHFFFAOYSA-N
    • SMILES: Cl.O=C1CNCCCN1C

Computed Properties

  • Exact Mass: 164.0716407g/mol
  • Monoisotopic Mass: 164.0716407g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 114
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 32.3?2

1-Methyl-1,4-diazepan-2-one hydrochloride Pricemore >>

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abcr
AB453761-250 mg
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