Basic information
- CAS
2247-48-5- Standard SMILES
CN1C2CCC1CC(OC(=O)Cc1ccccc1Cl)C2.Cl- InChIKey
KJKUFPFRYPMUPG-UHFFFAOYSA-N- Molecular formula
- C16H21Cl2NO2
- Average molar mass
- 330.2 g/mol
- Monoisotopic mass
- 329.0949343
Names & identifiers
- Preferred name
- 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, o-chlorophenylacetate, hydrochloride
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(2-chlorophenyl)acetate;hydrochloride
Names & synonyms
2247-48-51-alpha-H,5-alpha-H-Tropan-3-alpha-ol, o-chlorophenylacetate, hydrochlorideRefChem:10548163-Tropine o-chlorophenylacetate hydrochloride3-psi-Tropine o-chlorophenylacetate hydrochloride1-alpha-H,5-alpha-H-Tropan-3-beta-ol, o-chlorophenylacetate, hydrochlorideDTXSID409451482247-50-98-Methyl-8-azabicyclo[3.2.1]octan-3-yl (2-chlorophenyl)acetate--hydrogen chloride (1/1)
Database identifiers
- CAS
2247-48-5、2247-50-9- PubChem CID
- 200554
- DTXSID
DTXSID40945148
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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