6-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-hydroxyphenyl)-, acetate (ester), hydrochloride, (+-)-
Basic information
- CAS
60884-41-5- Standard SMILES
CC(=O)Oc1cccc(C23CCCC(C2)N(C)C3C)c1.Cl- InChIKey
YVZRQGLMXAAHGH-UHFFFAOYSA-N- Molecular formula
- C17H24ClNO2
- Average molar mass
- 309.8 g/mol
- Monoisotopic mass
- 309.1495567
Names & identifiers
- Preferred name
- 6-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-hydroxyphenyl)-, acetate (ester), hydrochloride, (+-)-
- IUPAC
- [3-(6,7-dimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenyl] acetate;hydrochloride
Names & synonyms
60884-41-56-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-hydroxyphenyl)-, acetate (ester), hydrochloride, (+-)-RefChem:1073812(+-)-6,7-Dimethyl-1-(m-hydroxyphenyl)-6-azabicyclo(3.2.1)octane acetate hydrochloridePhenol, 3-(6,7-dimethyl-6-azabicyclo(3.2.1)oct-1-yl)-, acetate (ester), hydrochloride, (+-)-Phenol, 3-(6,7-dimethyl-6-azabicyclo(3.2.1)oct-1-yl)-, acetate (ester), hydrochloride, (-)-6-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-hydroxyphenyl)-, acetate (ester), (-)-, hydrochlorideCHEMBL3251436SCHEMBL11860173DTXSID1097636360884-43-73-(6,7-Dimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenyl acetate--hydrogen chloride (1/1)
Database identifiers
- CAS
60884-41-5、60884-43-7- PubChem CID
- 3045500
- DTXSID
DTXSID10976363- ChEMBL
CHEMBL3251436
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
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Compound notes
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