Carbamic acid, (2-(pentyloxy)phenyl)-, 1-azabicyclo(2.2.2)oct-3-yl ester, monohydrochloride
Basic information
- CAS
151643-49-1- Standard SMILES
CCCCCOc1ccccc1NC(=O)OC1CN2CCC1CC2.Cl- InChIKey
KPTIGCWXXALRAC-UHFFFAOYSA-N- Molecular formula
- C19H29ClN2O3
- Average molar mass
- 368.9 g/mol
- Monoisotopic mass
- 368.1866705
Names & identifiers
- Preferred name
- Carbamic acid, (2-(pentyloxy)phenyl)-, 1-azabicyclo(2.2.2)oct-3-yl ester, monohydrochloride
- IUPAC
- 1-azabicyclo[2.2.2]octan-3-yl N-(2-pentoxyphenyl)carbamate;hydrochloride
Names & synonyms
Carbamic acid, (2-(pentyloxy)phenyl)-, 1-azabicyclo(2.2.2)oct-3-yl ester, monohydrochloride151643-49-1Carbanilic acid, o-(pentyloxy)-, 3-quinuclidinyl ester, monohydrochloride1-Azabicyclo(2.2.2)oct-3-yl (2-(pentyloxy)phenyl)carbamate monohydrochlorideRefChem:331913DTXSID609343171-Azabicyclo[2.2.2]octan-3-yl hydrogen [2-(pentyloxy)phenyl]carbonimidate--hydrogen chloride (1/1)
Database identifiers
- CAS
151643-49-1- PubChem CID
- 3073709
- DTXSID
DTXSID60934317
Properties
Computed structural properties
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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