Basic information
- CAS
7458-65-3- Standard SMILES
C[NH2+]CC(C)CN1CCCCCc2ccccc21.[Cl-]- InChIKey
DERBWEGEHOPABL-UHFFFAOYSA-N- Molecular formula
- C16H27ClN2
- Average molar mass
- 282.9 g/mol
- Monoisotopic mass
- 282.1862766
Names & identifiers
- Preferred name
- Ucb 4268
- IUPAC
- methyl-[2-methyl-3-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)propyl]azanium chloride
Names & synonyms
UCB 42687458-65-3RefChem:11006271-Benzazocine, 1,2,3,4,5,6-hexahydro-1-(2'-methyl-3'-(N-methylamino)propyl)-, hydrochlorideNSC 1691001-Benzazocine, 1,2,3,4,5,6-hexahydro-1-(2-methyl-3-(methylamino)propyl)-, monohydrochloride
Database identifiers
- CAS
7458-65-3- PubChem CID
- 24034
Properties
Computed structural properties
- Topological polar surface area
- 19.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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