Cas no 1208-76-0 (1-benzylazepan-4-one hydrochloride)

1-Benzylazepan-4-one hydrochloride is a synthetic organic compound featuring a benzyl-substituted azepane core with a ketone functional group at the 4-position, presented as its hydrochloride salt for enhanced stability and solubility. This intermediate is valuable in pharmaceutical and agrochemical research, particularly in the synthesis of bioactive molecules targeting central nervous system (CNS) disorders or other therapeutic applications. The hydrochloride form ensures improved handling and compatibility in synthetic workflows. Its structural versatility allows for further functionalization, making it a useful building block in medicinal chemistry. The compound is typically characterized by high purity and consistent performance in reactions such as reductive amination or nucleophilic additions.
1-benzylazepan-4-one hydrochloride structure
1208-76-0 structure
Product Name:1-benzylazepan-4-one hydrochloride
CAS No:1208-76-0
MF:C13H18ClNO
MW:239.741122722626
MDL:MFCD11053515
CID:117520
PubChem ID:13072029
Update Time:2025-08-03

1-benzylazepan-4-one hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 4H-Azepin-4-one,hexahydro-1-(phenylmethyl)-, hydrochloride (1:1)
    • 1-Benzyl-4-azepanone hydrochloride
    • 1-BENZYL-4-OXOAZEPANE HCL
    • 1-BENZYL-4-OXOAZEPANE HYDROCHLORIDE
    • 1-Benzyl-azepan-4-one hydrochloride
    • 1-benzylazepan-4-one,hydrochloride
    • 1-benzyl 4-azepanone hydrochloride
    • 1-benzyl-1,2,3,5,6,7-hexahydroazepine-4-one hydrochloride
    • 1-Benzyl-hexahydro-azepin-4-on,Hydrochlorid
    • 1-benzyl-hexahydro-azepin-4-one,hydrochloride
    • hexahydro-1-(phenylmethyl)-4H-azepin-4-one hydrochloride
    • N-benzylhexahydro-4H-azepin-4-one hydrochloride
    • N-benzylhexahydroazepin-4-one hydrochloride
    • 1-benzylazepan-4-one hydrochloride
    • TVIICJDDSIMWQT-UHFFFAOYSA-N
    • 1-Benzylazepan-4-one--hydrogen chloride (1/1)
    • VU0494849-1
    • AB63061
    • AMY32039
    • 1-BENZYL-4-OXOAZEPANEHCL
    • 1-Benzyl-4-azepanone hydrochloride
    • 1208-76-0
    • F2167-0002
    • 1-benzylhexahydro-4-azepinone hydrochloride
    • SCHEMBL1171130
    • 1-benzylazepan-4-one;hydrochloride
    • AKOS015909255
    • FT-0741515
    • 4H-Azepin-4-one,hexahydro-1-(phenylmethyl)-,hydrochloride(1:1)
    • 1-benzylhexahydroazepin-4-one hydrochloride
    • EN300-238842
    • DTXSID20517342
    • MFCD11053515
    • 1-benzylazepan-4-onehydrochloride
    • DB-061826
    • MDL： MFCD11053515
    • Inchi： 1S/C13H17NO.ClH/c15-13-7-4-9-14(10-8-13)11-12-5-2-1-3-6-12;/h1-3,5-6H,4,7-11H2;1H
    • InChI Key： TVIICJDDSIMWQT-UHFFFAOYSA-N
    • SMILES： Cl.O=C1CCCN(CC2C=CC=CC=2)CC1

Computed Properties

  • Exact Mass: 239.10800
  • Monoisotopic Mass: 239.1076919g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 209
  • 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: 20.3?2

Experimental Properties

  • PSA: 20.31000
  • LogP: 2.98150

1-benzylazepan-4-one hydrochloride 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%

1-benzylazepan-4-one hydrochloride Pricemore >>

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