Basic information
- CAS
40494-45-9- Standard SMILES
CN1C2CCC1CC(OC(=O)CC1=CCCCc3ccccc31)C2.Cl- InChIKey
BKHSZWCXVZDZEP-UHFFFAOYSA-N- Molecular formula
- C21H28ClNO2
- Average molar mass
- 361.9 g/mol
- Monoisotopic mass
- 361.1808568
Names & identifiers
- Preferred name
- 5H-Benzocycloheptene-9-acetic acid, 6,7-dihydro-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, hydrochloride, endo-
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(8,9-dihydro-7H-benzo[7]annulen-5-yl)acetate;hydrochloride
Names & synonyms
40494-45-93-alpha-Tropanyl 8,9-dihydro-7H-benzocycloheptene-5-acetate hydrochloride5H-Benzocycloheptene-9-acetic acid, 6,7-dihydro-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, hydrochloride, endo-RefChem:305380DTXSID309608808-Methyl-8-azabicyclo[3.2.1]octan-3-yl (6,7-dihydro-5H-benzo[7]annulen-9-yl)acetate--hydrogen chloride (1/1)
Database identifiers
- CAS
40494-45-9- PubChem CID
- 218330
- DTXSID
DTXSID30960880
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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