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ethyl 1-azabicyclo[2.2.1]heptane-2-carboxylate hydrochloride structure
ethyl 1-azabicyclo[2.2.1]heptane-2-carboxylate hydrochloride structure

ethyl 1-azabicyclo[2.2.1]heptane-2-carboxylate hydrochloride

Iupac Name:ethyl 1-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride
CAS No.: 1313254-75-9
Molecular Weight:205.682g/mol
Modify Date.: 2024-02-06 07:01
1. Names and Identifiers
1.1 Name
ethyl 1-azabicyclo[2.2.1]heptane-2-carboxylate hydrochloride
1.2 Synonyms

1-aza-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester hydrochloride 1-Azabicyclo[2.2.1]heptane-2-carboxylic acid, ethyl ester, hydrochloride (1:1) BG01515823 Ethyl 1-azabicyclo[2.2.1]heptane-2-carboxylate hydrochloride (1:1) mfcd11501406

1.3 CAS No.
1313254-75-9
1.4 CID
53487543
1.5 Molecular Formula
C9H16ClNO2 (isomer)
1.6 Inchi
InChI=1S/C9H15NO2.ClH/c1-2-12-9(11)8-5-7-3-4-10(8)6-7;/h7-8H,2-6H2,1H3;1H
1.7 InChIkey
LDDUPETUUPJZSK-UHFFFAOYSA-N
1.8 Canonical Smiles
CCOC(=O)C1CC2CCN1C2.Cl
1.9 Isomers Smiles
CCOC(=O)C1CC2CCN1C2.Cl
2. Computational chemical data
  • Molecular Weight: 205.682g/molg/mol
  • Molecular Formula: C9H16ClNO2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 205.0869564
  • Monoisotopic Mass: 205.0869564
  • Complexity: 193
  • Rotatable Bond Count: 3
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 29.5
  • Heavy Atom Count: 13
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 2
  • CACTVS Substructure Key Fingerprint: AAADceByMAAEAAAAAAAAAAAAAAAAAWLAAAAsAAAAAAAAAAAAAAAAHgAAAAAADSjhgAYCCAMABAAIAACQCAAAAAAAAAAAAAGIAAACABIAgCAHAAAEAACQAAGYWQIOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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1-Aza-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester hydrochloride; .
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2022/01/01
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