Cas no 4241-13-8 (2-Oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile)

2-Oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile structure
4241-13-8 structure
Product Name:2-Oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
CAS No:4241-13-8
MF:C10H10N2O
MW:174.199202060699
CID:928094
PubChem ID:2768260
Update Time:2025-04-19

2-Oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
    • 2-OXO-1,2,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
    • 2-oxo-1,2,5,6,7,8-hexahydro-3-quinolinecarbonitrile(SALTDATA: FREE)
    • 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
    • 1,2,5,6,7,8-hexahydro-2-oxo-3-quinolinecarbonitrile
    • 2-hydroxy-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
    • 2-oxo-1,2,5,6,7,8-hexahydro-3-quinoline-3-carbonitrile
    • 2-oxo-1,2,5,6,7,8-hexahydro-quinoline-3-carbonitrile
    • 2-oxo-1,5,6,7,8-pentahydroquinoline-3-carbonitrile
    • 3-cyano-1,2,5,6,7,8-hexahydro-2-quinolone
    • F3250-0740
    • AKOS022133716
    • Opera_ID_1480
    • STL377950
    • 4241-13-8
    • CS-0102438
    • Z431947146
    • HMS2745M13
    • G29690
    • 2-hydroxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
    • SMR000338312
    • AKOS002336106
    • SCHEMBL4107462
    • 11R-1253
    • MLS000736362
    • JSLZOLIKGOFOOE-UHFFFAOYSA-N
    • DTXSID40377642
    • EN300-53622
    • MFCD00971266
    • CHEMBL1556996
    • BBL029098
    • STL311885
    • MDL: MFCD00971266
    • Inchi: 1S/C10H10N2O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h5H,1-4H2,(H,12,13)
    • InChI Key: JSLZOLIKGOFOOE-UHFFFAOYSA-N
    • SMILES: O=C1C(C#N)=CC2=C(CCCC2)N1

Computed Properties

  • Exact Mass: 174.07900
  • Monoisotopic Mass: 174.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 368
  • 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: 5
  • XLogP3: 0.9
  • Topological Polar Surface Area: 52.9?2

Experimental Properties

  • PSA: 56.65000
  • LogP: 1.12538

2-Oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile Customs Data

  • HS CODE:2933499090
  • Customs Data:

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. 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:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-Oxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile Pricemore >>

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