Basic information
- CAS
3414-23-1- Standard SMILES
COc1cc(C(=O)OCCCc2ccccn2)cc(OC)c1OC.Cl- InChIKey
TWCICHBHALIBEQ-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO5
- Average molar mass
- 367.8 g/mol
- Monoisotopic mass
- 367.1186505
Names & identifiers
- Preferred name
- 2-Pyridinepropanol, 3,4,5-trimethoxybenzoate (ester), hydrochloride
- IUPAC
- 3-pyridin-2-ylpropyl 3,4,5-trimethoxybenzoate;hydrochloride
Names & synonyms
2-Pyridinepropanol, 3,4,5-trimethoxybenzoate (ester), hydrochloride3414-23-1DTXSID20187721Benzoic acid, 3,4,5-trimethoxy-, (3-(2-pyridyl)propyl) ester, hydrochlorideRefChem:266645DTXCID801102123-(Pyridin-2-yl)propyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
3414-23-1- PubChem CID
- 201202
- DTXSID
DTXSID20187721
Properties
Computed structural properties
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 364
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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