Cas no 40832-88-0 (1-(2-nitrophenyl)azepane)

1-(2-nitrophenyl)azepane structure
1-(2-nitrophenyl)azepane structure
Product Name:1-(2-nitrophenyl)azepane
CAS No:40832-88-0
MF:C12H16N2O2
MW:220.267642974854
CID:926259
PubChem ID:2731654
Update Time:2025-04-19

1-(2-nitrophenyl)azepane Chemical and Physical Properties

Names and Identifiers

    • 1-(2-NITRO-PHENYL)-AZEPANE
    • 1-(2-Nitrophenyl)azepane
    • F1911-3530
    • 40832-88-0
    • DTXSID90369698
    • AKOS027327734
    • 1-(2-nitrophenyl)azepane
    • MDL: MFCD00175563
    • Inchi: 1S/C12H16N2O2/c15-14(16)12-8-4-3-7-11(12)13-9-5-1-2-6-10-13/h3-4,7-8H,1-2,5-6,9-10H2
    • InChI Key: SXHDLBJNZIRUKN-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC=CC=1N1CCCCCC1)=O

Computed Properties

  • Exact Mass: 220.12100
  • Monoisotopic Mass: 220.121177757g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 232
  • 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: 3.1
  • Topological Polar Surface Area: 49.1?2

Experimental Properties

  • PSA: 49.06000
  • LogP: 3.56340

1-(2-nitrophenyl)azepane 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-(2-nitrophenyl)azepane Pricemore >>

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