Cas no 28795-81-5 (1,4-Diazepan-6-ol)

1,4-Diazepan-6-ol is a heterocyclic compound featuring a diazepane ring with a hydroxyl group at the 6-position. This structure lends itself to versatility in synthetic chemistry, particularly as a building block for pharmaceuticals and agrochemicals. Its functional groups enable selective modifications, making it valuable for developing biologically active molecules with tailored properties.
1,4-Diazepan-6-ol structure
1,4-Diazepan-6-ol structure
Product Name:1,4-Diazepan-6-ol
CAS No:28795-81-5
MF:C5H12N2O
MW:116.161581039429
MDL:MFCD09607989
CID:239924
PubChem ID:21114275
Update Time:2025-06-17

1,4-Diazepan-6-ol Chemical and Physical Properties

Names and Identifiers

    • 1,4-Diazepan-6-ol
    • [1,4]Diazepan-6-ol
    • [1,4]DIAZEPAN‐6‐OL 2HBR
    • 1H-1,4-Diazepin-6-ol,hexahydro-
    • 6-hydroxyhexahydro-1H-1,4-diazepine
    • (6-Hydroxyhexyl)-triohenylphosphonium-bromid
    • (6-hydroxyhexyl)triphenylphosphonium bromide
    • (6-hydroxyhexyl)-triphenylphosphonium bromide
    • 6-hydroxyhexyl(triphenyl)phosphanium bromide
    • 6-hydroxyhexyltriphenylphosphonium bromide
    • 6-hydroxyhexyl-triphenylphosphonium bromide
    • 6-hydroxy-hexyl-triphenyl-phosphonium bromide
    • 6-hydroxy-homopiperazine
    • AC1MD6WA
    • AM90255
    • EN300-115032
    • SJLSQITZGUTOMN-UHFFFAOYSA-N
    • SCHEMBL1992553
    • A901858
    • AKOS006359097
    • 1H-1,4-Diazepin-6-ol, hexahydro-
    • CHEMBL4585632
    • AT21564
    • 28795-81-5
    • 1, 4-diazepan-6-ol
    • MDL: MFCD09607989
    • Inchi: 1S/C5H12N2O/c8-5-3-6-1-2-7-4-5/h5-8H,1-4H2
    • InChI Key: SJLSQITZGUTOMN-UHFFFAOYSA-N
    • SMILES: OC1CNCCNC1

Computed Properties

  • Exact Mass: 116.09506
  • Monoisotopic Mass: 116.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 59.4
  • 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: 44.3A^2
  • XLogP3: -1.5

Experimental Properties

  • Density: 1.025
  • Boiling Point: 258.2°Cat760mmHg
  • Flash Point: 144.4°C
  • Refractive Index: 1.466
  • PSA: 44.29
  • LogP: -0.80230

1,4-Diazepan-6-ol Pricemore >>

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