Basic information
- CAS
62028-50-6- Standard SMILES
COc1cc(CC2CC=CCN2)cc(OC)c1OC.Cl- InChIKey
RLLQEJPOQFUVTD-UHFFFAOYSA-N- Molecular formula
- C15H22ClNO3
- Average molar mass
- 299.79 g/mol
- Monoisotopic mass
- 299.1288213
Names & identifiers
- Preferred name
- Pyridine, 1,2,3,6-tetrahydro-2-(3,4,5-trimethoxybenzyl)-, hydrochloride
- IUPAC
- 2-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,6-tetrahydropyridine;hydrochloride
Names & synonyms
2-(3,4,5-Tetramethoxybenzyl)-1,2,3,6-tetrahydropyridine hydrochloridePyridine, 1,2,3,6-tetrahydro-2-(3,4,5-trimethoxybenzyl)-, hydrochloride62028-50-6RefChem:376447DTXSID609775672-[(3,4,5-Trimethoxyphenyl)methyl]-1,2,3,6-tetrahydropyridine--hydrogen chloride (1/1)
Database identifiers
- CAS
62028-50-6- PubChem CID
- 3046366
- DTXSID
DTXSID60977567
Properties
Computed structural properties
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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