Basic information
- CAS
42882-69-9- Standard SMILES
CC(C)[NH2+]CC(O)c1ccc2c(c1)CCCCC2.[Cl-]- InChIKey
OCLOUSOZXAHTGR-UHFFFAOYSA-N- Molecular formula
- C16H26ClNO
- Average molar mass
- 283.83 g/mol
- Monoisotopic mass
- 283.1702921
Names & identifiers
- Preferred name
- 5H-Benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-(((1-methylethyl)amino)methyl)-, hydrochloride
- IUPAC
- [2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-propan-2-ylazanium chloride
Names & synonyms
42882-69-91-(6,7,8,9-Tetrahydro-5H-benzocyclohepten-2-yl)-2-isopropylaminoethanol hydrochloride5H-Benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-(((1-methylethyl)amino)methyl)-, hydrochlorideRefChem:305362
Database identifiers
- CAS
42882-69-9- PubChem CID
- 39343
Properties
Computed structural properties
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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