Cas no 117705-04-1 (3-(2-Oxopiperidin-1-yl)propanoic acid)

3-(2-Oxopiperidin-1-yl)propanoic acid is a versatile organic compound with a broad range of applications in pharmaceutical research. Its unique structural features offer advantages such as high purity, excellent solubility, and potential for synthetic modifications. This compound is well-suited for drug discovery, serving as a valuable intermediate in the synthesis of various biologically active molecules.
3-(2-Oxopiperidin-1-yl)propanoic acid structure
117705-04-1 structure
Product Name:3-(2-Oxopiperidin-1-yl)propanoic acid
CAS No:117705-04-1
MF:C8H13NO3
MW:171.193722486496
MDL:MFCD08700406
CID:1075963
PubChem ID:19900425
Update Time:2025-06-20

3-(2-Oxopiperidin-1-yl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(2-Oxopiperidin-1-yl)propanoic acid
    • 1-Piperidinepropanoic acid,2-oxo
    • 3-(2-oxopiperidin-1-yl)propanoic acid(SALTDATA: FREE)
    • LS-03761
    • EN300-702967
    • SCHEMBL7328278
    • DTXSID60601138
    • 3-(2-oxopiperidino)propionic acid
    • 3-(2-Oxo-1-piperidinyl)propanoic acid
    • CZDCTKRGYQLASW-UHFFFAOYSA-N
    • MFCD08700406
    • AKOS002657158
    • SB41252
    • 2-Oxo-1-piperidinepropanoic acid
    • ALBB-011994
    • 117705-04-1
    • STL406487
    • 1-Piperidinepropanoic acid, 2-oxo-
    • DB-377673
    • MDL: MFCD08700406
    • Inchi: 1S/C8H13NO3/c10-7-3-1-2-5-9(7)6-4-8(11)12/h1-6H2,(H,11,12)
    • InChI Key: CZDCTKRGYQLASW-UHFFFAOYSA-N
    • SMILES: O=C1CCCCN1CCC(=O)O

Computed Properties

  • Exact Mass: 171.09000
  • Monoisotopic Mass: 171.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 191
  • 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: -0.6
  • Topological Polar Surface Area: 57.6?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: NA
  • Boiling Point: 380.8±25.0 °C at 760 mmHg
  • PSA: 57.61000
  • LogP: 0.41150
  • Vapor Pressure: 0.0±1.9 mmHg at 25°C

3-(2-Oxopiperidin-1-yl)propanoic acid Security Information

3-(2-Oxopiperidin-1-yl)propanoic acid 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%

3-(2-Oxopiperidin-1-yl)propanoic acid Pricemore >>

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