Cas no 115840-34-1 (1-(azepan-1-yl)-2-chloropropan-1-one)

1-(azepan-1-yl)-2-chloropropan-1-one structure
115840-34-1 structure
Product Name:1-(azepan-1-yl)-2-chloropropan-1-one
CAS No:115840-34-1
MF:C9H16ClNO
MW:189.682441711426
MDL:MFCD08262829
CID:130949
PubChem ID:14209027
Update Time:2025-04-19

1-(azepan-1-yl)-2-chloropropan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1H-Azepine, 1-(2-chloro-1-oxopropyl)hexahydro- (9CI)
    • 1-(2-Chloropropanoyl)azepane
    • 1-(azepan-1-yl)-2-chloropropan-1-one
    • 1-Propanone,2-chloro-1-(hexahydro-1H-azepin-1-yl)-
    • 1-Propanone,2-chloro-1-(hexahydro-1H-azepin-1-yl)
    • Albb-009552
    • 1-(2-chloropropanoyl)azepane(SALTDATA: FREE)
    • 1H-azepine, 1-(2-chloro-1-oxopropyl)hexahydro-
    • LS-03127
    • SCHEMBL11061943
    • DTXSID20557460
    • AKOS000264100
    • FT-0679611
    • 115840-34-1
    • 1-Propanone, 2-chloro-1-(hexahydro-1H-azepin-1-yl)-
    • EN300-23383
    • MFCD08262829
    • AKOS016051212
    • Z147652190
    • CS-0215331
    • MDL: MFCD08262829
    • Inchi: 1S/C9H16ClNO/c1-8(10)9(12)11-6-4-2-3-5-7-11/h8H,2-7H2,1H3
    • InChI Key: FZICYJAARJPVGH-UHFFFAOYSA-N
    • SMILES: ClC(C)C(N1CCCCCC1)=O

Computed Properties

  • Exact Mass: 189.09200
  • Monoisotopic Mass: 189.0920418g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 153
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 20.3?2

Experimental Properties

  • Density: 1.085
  • Boiling Point: 295.374°C at 760 mmHg
  • Flash Point: 132.438°C
  • Refractive Index: 1.483
  • PSA: 20.31000
  • LogP: 1.95420

1-(azepan-1-yl)-2-chloropropan-1-one Security Information

  • HazardClass:IRRITANT

1-(azepan-1-yl)-2-chloropropan-1-one 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-(azepan-1-yl)-2-chloropropan-1-one Pricemore >>

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