Cinnamic acid, alpha-(p-ethylphenyl)-, 3-tropanyl ester, hydrochloride, hydrate
Basic information
- CAS
100908-73-4- Standard SMILES
CCc1ccc(/C(=C\c2ccccc2)C(=O)OC2CC3CCC(C2)[NH+]3C)cc1.[Cl-]- InChIKey
AXIVFDBOEWCOTN-CFYFISJPSA-N- Molecular formula
- C25H30ClNO2
- Average molar mass
- 412 g/mol
- Monoisotopic mass
- 411.1965069
Names & identifiers
- Preferred name
- Cinnamic acid, alpha-(p-ethylphenyl)-, 3-tropanyl ester, hydrochloride, hydrate
- IUPAC
- (8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) (E)-2-(4-ethylphenyl)-3-phenylprop-2-enoate chloride
Names & synonyms
CINNAMIC ACID, alpha-(p-ETHYLPHENYL)-, 3-TROPANYL ESTER, HYDROCHLORIDE, HYDRATE100908-73-4RefChem:1081799alpha-(p-Ethylphenyl)cinnamic acid 3-tropanyl ester hydrochloride hydrate
Database identifiers
- CAS
100908-73-4- PubChem CID
- 6435649
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 543
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Compound notes
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