Cas no 1025828-21-0 (Benzyl 3-oxoazepane-1-carboxylate)

Benzyl 3-oxoazepane-1-carboxylate structure
1025828-21-0 structure
Product Name:Benzyl 3-oxoazepane-1-carboxylate
CAS No:1025828-21-0
MF:C14H17NO3
MW:247.289684057236
MDL:MFCD19687798
CID:1039437
PubChem ID:10538448
Update Time:2025-04-20

Benzyl 3-oxoazepane-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Benzyl 3-oxoazepane-1-carboxylate
    • 1H-AZEPINE-1-CARBOXYLIC ACID, HEXAHYDRO-3-OXO-, PHENYLMETHYL ESTER
    • AK104895
    • ANW-70891
    • CTK8C3976
    • KB-250970
    • SureCN5417320
    • AS-42010
    • MFCD19687798
    • Hexahydro-3-oxo-1H-azepine-1-carboxylic acid phenylmethyl ester
    • SCHEMBL5417320
    • Benzyl3-oxoazepane-1-carboxylate
    • A896756
    • AKOS016008122
    • 1025828-21-0
    • SY242972
    • 1-CBZ-3-OXOAZEPANE
    • DTXSID30441482
    • 1-Cbz-azepan-3-one
    • DB-095801
    • MDL: MFCD19687798
    • Inchi: 1S/C14H17NO3/c16-13-8-4-5-9-15(10-13)14(17)18-11-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
    • InChI Key: XEMFQWHEMOEYHP-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C(N1CC(CCCC1)=O)=O

Computed Properties

  • Exact Mass: 247.12084340g/mol
  • Monoisotopic Mass: 247.12084340g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 297
  • 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
  • XLogP3: 1.9
  • Topological Polar Surface Area: 46.6?2

Benzyl 3-oxoazepane-1-carboxylate Security Information

Benzyl 3-oxoazepane-1-carboxylate Pricemore >>

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