Cas no 34376-54-0 (1,4-Diazepan-5-one)

1,4-Diazepan-5-one structure
1,4-Diazepan-5-one structure
Product Name:1,4-Diazepan-5-one
CAS No:34376-54-0
MF:C5H10N2O
MW:114.145700931549
MDL:MFCD00766804
CID:54232
PubChem ID:2737264
Update Time:2025-04-18

1,4-Diazepan-5-one Chemical and Physical Properties

Names and Identifiers

    • 1,4-Diazepan-5-one
    • Homopiperazin-5-one
    • [1,4]DIAZEPAN-5-ONE
    • 2,3,6,7-Tetrahydro-(1H)-1,4-diazepin-5-(4H)-one
    • 2,3,4,5,6,7-hexahydro-1H-1,4-diazepin-5-one
    • 2,3,6,7-Tetrahydro-(1H)-1,4-diazepin-5(4H)-one
    • 5-homopiperazinone
    • tetrahydro-1,4-diazepin-5-one
    • 1,4-Diazepan-5-one, AldrichCPR
    • J-503978
    • SCHEMBL89391
    • Peakdale1_000765
    • AB00982368-01
    • DTXSID50371954
    • AB07054
    • AKOS000122805
    • HMS520C17
    • 5H-1,4-DIAZEPIN-5-ONE, HEXAHYDRO-
    • BCP32302
    • 2,3,6,7-Tetrahydro-1H-1,4-diazepin-5(4H)-one
    • hexahydro-1H-1,4-diazepin-5-one
    • MFCD00766804
    • EN300-30392
    • ZH0040
    • PS-6164
    • FT-0639186
    • A6051
    • 34376-54-0
    • QPPLBCQXWDBQFS-UHFFFAOYSA-N
    • CS-W011246
    • 1,4-Diazepan-5-one;Homopiperazin-5-one
    • SY075066
    • AM85736
    • [1,4]-diazepan-5-one
    • DB-013174
    • MDL: MFCD00766804
    • Inchi: 1S/C5H10N2O/c8-5-1-2-6-3-4-7-5/h6H,1-4H2,(H,7,8)
    • InChI Key: QPPLBCQXWDBQFS-UHFFFAOYSA-N
    • SMILES: O=C1CCNCCN1

Computed Properties

  • Exact Mass: 114.07900
  • Monoisotopic Mass: 114.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: -1.2
  • Topological Polar Surface Area: 41.1A^2

Experimental Properties

  • Color/Form: White solid
  • Density: 1.012
  • Melting Point: 65-68
  • Boiling Point: 308.8°C at 760 mmHg
  • Flash Point: 159.6°C
  • PSA: 41.13000
  • LogP: -0.24650
  • Solubility: Not determined

1,4-Diazepan-5-one Security Information

  • Hazard Statement: Irritant
  • Hazard Category Code: 36
  • Safety Instruction: 26
  • Hazardous Material Identification: Xi
  • HazardClass:HYGROSCOPIC

1,4-Diazepan-5-one Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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