4-Pyridinepropanol, 3,4,5-trimethoxybenzoate (ester), hydrochloride
Basic information
- CAS
3414-24-2- Standard SMILES
COc1cc(C(=O)OCCCc2ccncc2)cc(OC)c1OC.Cl- InChIKey
ORLPOGCBIZVPIC-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO5
- Average molar mass
- 367.8 g/mol
- Monoisotopic mass
- 367.1186505
Names & identifiers
- Preferred name
- 4-Pyridinepropanol, 3,4,5-trimethoxybenzoate (ester), hydrochloride
- IUPAC
- 3-pyridin-4-ylpropyl 3,4,5-trimethoxybenzoate;hydrochloride
Names & synonyms
4-Pyridinepropanol, 3,4,5-trimethoxybenzoate (ester), hydrochloride3414-24-2DTXSID80187722Benzoic acid, 3,4,5-trimethoxy-, (3-(4-pyridyl)propyl) ester, hydrochlorideRefChem:296069DTXCID401102133-(Pyridin-4-yl)propyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
3414-24-2- PubChem CID
- 201204
- DTXSID
DTXSID80187722
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
- 358
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Compound notes
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