Basic information
- CAS
42882-45-1- Standard SMILES
CC(C)[NH+](CC(=O)c1ccc2c(c1)CCCCC2)Cc1ccccc1.[Cl-]- InChIKey
YTUGXIODVKTIHS-UHFFFAOYSA-N- Molecular formula
- C23H30ClNO
- Average molar mass
- 371.9 g/mol
- Monoisotopic mass
- 371.2015923
Names & identifiers
- Preferred name
- Ethanone, 2-((1-methylethyl)(phenylmethyl)amino)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride
- IUPAC
- benzyl-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-propan-2-ylazanium chloride
Names & synonyms
42882-45-1Ethanone, 2-((1-methylethyl)(phenylmethyl)amino)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochlorideRefChem:1084580
Database identifiers
- CAS
42882-45-1- PubChem CID
- 39333
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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