Basic information
- CAS
42023-67-6- Standard SMILES
CCC(C(=O)OCc1cccc[nH+]1)c1ccccc1.[Cl-]- InChIKey
CQIIFAQZABVZCO-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO2
- Average molar mass
- 291.77 g/mol
- Monoisotopic mass
- 291.1026065
Names & identifiers
- Preferred name
- (Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1)
- IUPAC
- pyridin-1-ium-2-ylmethyl 2-phenylbutanoate chloride
Names & synonyms
42023-67-6DTXSID90962204(Pyridin-2-yl)methyl 2-phenylbutanoate--hydrogen chloride (1/1)RefChem:1051037DTXCID9013900172-Pyridylmethyl alpha-phenylbutyrate hydrochlorideF 1172Benzeneacetic acid, alpha-ethyl-, 2-pyridylmethyl ester hydrochlorideMethanol, 2-pyridyl-, alpha-phenylbutyrate, hydrochlorideBUTYRIC ACID, alpha-PHENYL-, 2-PYRIDYLMETHYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
42023-67-6- PubChem CID
- 39091
Properties
Computed structural properties
- Topological polar surface area
- 40.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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