Cas no 34459-10-4 (Methyl azepane-2-carboxylate hydrochloride)

Methyl azepane-2-carboxylate hydrochloride structure
34459-10-4 structure
Product Name:Methyl azepane-2-carboxylate hydrochloride
CAS No:34459-10-4
MF:C8H16ClNO2
MW:193.671141624451
MDL:MFCD16660246
CID:843365
PubChem ID:52988133
Update Time:2025-04-19

Methyl azepane-2-carboxylate hydrochloride Chemical and Physical Properties

Names and Identifiers

    • Methyl azepane-2-carboxylate hydrochloride
    • Hexahydro-1H-azepine-2-carboxylic acidmethylesterhydrochloride
    • AK-38310
    • ANW-72457
    • CTK8C4606
    • hexahydro-1H-azepin-2-carboxylic acid methyl ester
    • KB-257857
    • Y6189
    • Azepane-2-carboxylic acid methyl ester hydrochloride
    • methyl azepane-2-carboxylate;hydrochloride
    • SCHEMBL15206077
    • I11326
    • Z2232973413
    • SY148499
    • Methyl azepane-2-carboxylate--hydrogen chloride (1/1)
    • MFCD16660246
    • DTXSID50681045
    • AKOS016007648
    • METHYL AZEPANE-2-CARBOXYLATE HCL
    • CS-0308753
    • 34459-10-4
    • Hexahydro-1H-azepine-2-carboxylic acid methyl ester hydrochloride
    • methyl azepane-2-carboxylate,hydrochloride
    • Methylazepane-2-carboxylatehydrochloride
    • EN300-130367
    • MDL: MFCD16660246
    • Inchi: 1S/C8H15NO2.ClH/c1-11-8(10)7-5-3-2-4-6-9-7;/h7,9H,2-6H2,1H3;1H
    • InChI Key: BNHXNHZLTSGLMV-UHFFFAOYSA-N
    • SMILES: Cl.O(C)C(C1CCCCCN1)=O

Computed Properties

  • Exact Mass: 193.08708
  • Monoisotopic Mass: 193.0869564g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 136
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38.3?2

Experimental Properties

  • PSA: 38.33

Methyl azepane-2-carboxylate hydrochloride Pricemore >>

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