Basic information
- CAS
66902-53-2- Standard SMILES
O=C(OCCCc1cccc[nH+]1)C(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
PZYPIWGWBGRFEP-UHFFFAOYSA-N- Molecular formula
- C22H22ClNO2
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.1339066
Names & identifiers
- Preferred name
- Acetic acid, diphenyl-, 3-(2-pyridyl)propyl ester, hydrochloride
- IUPAC
- 3-pyridin-1-ium-2-ylpropyl 2,2-diphenylacetate chloride
Names & synonyms
ACETIC ACID, DIPHENYL-, 3-(2-PYRIDYL)PROPYL ESTER, HYDROCHLORIDE66902-53-2RefChem:1075801Diphenylacetic acid 3-(2-pyridyl)propyl ester hydrochloride
Database identifiers
- CAS
66902-53-2- PubChem CID
- 48264
Properties
Computed structural properties
- Topological polar surface area
- 40.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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