Cas no 99822-50-1 (1,4-Diazepan-2-one)

1,4-Diazepan-2-one is a heterocyclic organic compound featuring a seven-membered ring structure with nitrogen and carbonyl functional groups. This versatile intermediate is widely utilized in pharmaceutical and agrochemical synthesis due to its ability to serve as a building block for more complex molecules. Its rigid yet flexible ring system allows for selective functionalization, making it valuable in the development of bioactive compounds, including potential therapeutic agents. The compound's stability and reactivity under controlled conditions further enhance its utility in organic synthesis. Researchers appreciate its compatibility with a range of reaction conditions, enabling precise modifications for targeted applications in medicinal chemistry and material science.
1,4-Diazepan-2-one structure
1,4-Diazepan-2-one structure
Product Name:1,4-Diazepan-2-one
CAS No:99822-50-1
MF:C5H10N2O
MW:114.145700931549
MDL:MFCD22570174
CID:797367
PubChem ID:13428532
Update Time:2025-06-07

1,4-Diazepan-2-one Chemical and Physical Properties

Names and Identifiers

    • 1,4-Diazepan-2-one
    • [1,4]Diazepan-2-one
    • 1,4-Diazapan-2-one
    • 2H-1,4-Diazepin-2-one,hexahydro-
    • hexahydro-2H-1,4-Diazepin-2-one
    • 1,4-diazacycloheptan-2-one
    • 1,4-diazapen-2-one
    • 2H-1,4-DIAZEPIN-2-ONE,HEXAHYDRO
    • ZLD0061
    • Perhydro-1,4-diazepin-2-one
    • 2H-1,4-DIAZEPIN-2-ONE, HEXAHYDRO-
    • zlchem 612
    • DRRVROVYLJHJIV-UHFFFAOYSA-N
    • 1,4-Diazepan-2-one, AldrichCPR
    • WT1119
    • 7004AC
    • VZ20728
    • AB30280
    • AM804637
    • ST24036842
    • AKOS004115265
    • ZDA82250
    • EN300-65529
    • TS-01580
    • CS-W007153
    • A846087
    • FT-0659566
    • 1-(2-Thiazolyl)piperazinedihydrochloride
    • SY032794
    • CS-0067156
    • 1 pound not4-Diazepan-2-one
    • 99822-50-1
    • MFCD06804501
    • DTXSID40540531
    • SCHEMBL88947
    • DB-080632
    • DTXCID00491318
    • MDL： MFCD22570174
    • Inchi： 1S/C5H10N2O/c8-5-4-6-2-1-3-7-5/h6H,1-4H2,(H,7,8)
    • InChI Key： DRRVROVYLJHJIV-UHFFFAOYSA-N
    • SMILES： O=C1CNCCCN1

Computed Properties

  • Exact Mass: 114.07900
  • Monoisotopic Mass: 114.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 92.4
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 41.1
  • XLogP3: -0.7

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.012±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 86-88 oC
  • Boiling Point: 308.8℃ at 760 mmHg
  • Flash Point: 215.9±27.3 °C
  • Refractive Index: 1.443
  • Solubility: Soluble (693 g/l) (25 o C),
  • PSA: 44.62000
  • LogP: -0.29940
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

1,4-Diazepan-2-one Security Information

1,4-Diazepan-2-one Customs Data

  • HS CODE：2933790090
  • Customs Data：

    China Customs Code:

    2933790090

    Overview:

    2933790090 Other lactams. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:9.0% general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

1,4-Diazepan-2-one Pricemore >>

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