3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1)
Basic information
- CAS
66902-54-3- Standard SMILES
O=C(OCCCc1cc[nH+]cc1)C(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
UYLHHMJHOKZYHU-UHFFFAOYSA-N- Molecular formula
- C22H22ClNO2
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.1339066
Names & identifiers
- Preferred name
- 3-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1)
- IUPAC
- 3-pyridin-1-ium-4-ylpropyl 2,2-diphenylacetate chloride
Names & synonyms
66902-54-3DTXSID709855323-(Pyridin-4-yl)propyl diphenylacetate--hydrogen chloride (1/1)RefChem:1067233DTXCID501412724Diphenylacetic acid 3-(4-pyridyl)propyl ester hydrochlorideACETIC ACID, DIPHENYL-, 3-(4-PYRIDYL)PROPYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
66902-54-3- PubChem CID
- 48266
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
- 361
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Compound notes
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