Basic information
- CAS
67032-02-4- Standard SMILES
CC1CCC(C)[NH+](CCCOC(=O)c2ccccc2)C1.[Cl-]- InChIKey
KYRDYZKVJLWNFT-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1652068
Names & identifiers
- Preferred name
- Benzoic acid, o-hydroxy-, 3-(2,5-dimethylpiperidino)propyl ester, hydrochloride
- IUPAC
- 3-(2,5-dimethylpiperidin-1-ium-1-yl)propyl benzoate chloride
- English name
- Benzoic acid, 3-(2,5-dimethylpiperidino)propyl ester, hydrochloride
- Molecular formula
- C17H26ClNO2
- Molecular weight
- 311.84684
Names & synonyms
67032-02-4BENZOIC ACID, o-HYDROXY-, 3-(2,5-DIMETHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDERefChem:1079226o-Hydroxybenzoic acid 3-(2,5-dimethylpiperidino)propyl ester hydrochlorideBENZOIC ACID, 3-(2,5-DIMETHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE67049-58-5
Database identifiers
- CAS
67032-02-4、67049-58-5- PubChem CID
- 48972
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 144 · 144-147 °C
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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