Cas no 146337-41-9 (1H-Azepine-1-carboxylicacid, 2-formylhexahydro-, 1,1-dimethylethyl ester)

1H-Azepine-1-carboxylicacid, 2-formylhexahydro-, 1,1-dimethylethyl ester structure
146337-41-9 structure
Product Name:1H-Azepine-1-carboxylicacid, 2-formylhexahydro-, 1,1-dimethylethyl ester
CAS No:146337-41-9
MF:C12H21NO3
MW:227.300043821335
MDL:MFCD07776597
CID:101243
PubChem ID:10421276
Update Time:2025-04-18

1H-Azepine-1-carboxylicacid, 2-formylhexahydro-, 1,1-dimethylethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1H-Azepine-1-carboxylicacid, 2-formylhexahydro-, 1,1-dimethylethyl ester
    • 1-BOC-2-AZEPANECARBALDEHYDE
    • 2-Formyl-azepane-1-carboxylic acid tert-butyl ester
    • tert-butyl 2-formylazepane-1-carboxylate
    • SCHEMBL14398395
    • 146337-41-9
    • CS-0079134
    • Tert-butyl2-formylazepane-1-carboxylate
    • 1H-Azepine-1-carboxylic acid, 2-formylhexahydro-, 1,1-dimethylethyl ester
    • SB33711
    • FT-0737767
    • DTXSID50439629
    • DB-063657
    • MDL: MFCD07776597
    • Inchi: 1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-6-4-5-7-10(13)9-14/h9-10H,4-8H2,1-3H3
    • InChI Key: YYVXGCZFWGOISI-UHFFFAOYSA-N
    • SMILES: O(C(C)(C)C)C(N1CCCCCC1C=O)=O

Computed Properties

  • Exact Mass: 227.15200
  • Monoisotopic Mass: 227.15214353g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 258
  • 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: 46.6?2

Experimental Properties

  • PSA: 46.61000
  • LogP: 2.30290

1H-Azepine-1-carboxylicacid, 2-formylhexahydro-, 1,1-dimethylethyl ester 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%

1H-Azepine-1-carboxylicacid, 2-formylhexahydro-, 1,1-dimethylethyl ester Pricemore >>

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