Basic information
- CAS
40494-40-4- Standard SMILES
CN(C)CCOC(=O)CC1CCCCc2ccccc21- InChIKey
KKVLTTUITAEBQM-UHFFFAOYSA-N- Molecular formula
- C17H25NO2
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.18852904
Names & identifiers
- Preferred name
- 5H-Benzocycloheptene-5-acetic acid, 6,7,8,9-tetrahydro-, 2-(dimethylamino)ethyl ester
- IUPAC
- 2-(dimethylamino)ethyl 2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)acetate
Names & synonyms
BRN 19926646,7,8,9-Tetrahydro-5H-benzocycloheptene-5-acetic acid 2-(dimethylamino)ethyl ester40494-40-45H-Benzocycloheptene-5-acetic acid, 6,7,8,9-tetrahydro-, 2-(dimethylamino)ethyl esterRefChem:305371DTXSID809608752-(Dimethylamino)ethyl (6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)acetate
Database identifiers
- CAS
40494-40-4- PubChem CID
- 38482
- DTXSID
DTXSID80960875
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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