Basic information
- CAS
42882-72-4- Standard SMILES
OC(C[NH2+]Cc1ccccc1)c1ccc2c(c1)CCCCC2.[Cl-]- InChIKey
BYWKFQFPZOQQFL-UHFFFAOYSA-N- Molecular formula
- C20H26ClNO
- Average molar mass
- 331.9 g/mol
- Monoisotopic mass
- 331.1702921
Names & identifiers
- Preferred name
- 5H-Benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-(((phenylmethyl)amino)methyl)-, dihydrochloride
- IUPAC
- benzyl-[2-hydroxy-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium chloride
Names & synonyms
5H-Benzocycloheptene-2-methanol, 6,7,8,9-tetrahydro-alpha-(((phenylmethyl)amino)methyl)-, dihydrochloride6,7,8,9-Tetrahydro-alpha-(((phenylmethyl)amino)methyl)-5H-benzocycloheptene-2-methanol 2HCl42882-72-4RefChem:305364
Database identifiers
- CAS
42882-72-4- PubChem CID
- 39347
Properties
Computed structural properties
- Topological polar surface area
- 36.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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