Basic information
- CAS
18045-46-0- Standard SMILES
C[NH+](C)C1CCC=CC2=C1CCCC2.[Cl-]- InChIKey
ZUFMJVZMPFYAPX-UHFFFAOYSA-N- Molecular formula
- C13H22ClN
- Average molar mass
- 227.77 g/mol
- Monoisotopic mass
- 227.1440774
Names & identifiers
- Preferred name
- 5H-Benzocyclohepten-5-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-, hydrochloride
- IUPAC
- 2,3,4,7,8,9-hexahydro-1H-benzo[7]annulen-9-yl(dimethyl)azanium chloride
Names & synonyms
5-Dimethylamino-6,7,8,9-tetrahydro-5H-benzocycloheptene hydrochloride18045-46-06,7,8,9-Tetrahydro-N,N-dimethyl-5H-benzocyclohepten-5-amine hydrochloride5H-BENZOCYCLOHEPTEN-5-AMINE, 6,7,8,9-TETRAHYDRO-N,N-DIMETHYL-, HYDROCHLORIDERefChem:305319
Database identifiers
- CAS
18045-46-0- PubChem CID
- 28869
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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