Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride
Basic information
- CAS
111719-47-2- Standard SMILES
O=C(/C=C(/c1ccccc1)[NH+]1CCCC1)OCCc1ccccc1.[Cl-]- InChIKey
DTPSRTCQTFKFMX-BZHDPTRRSA-N- Molecular formula
- C21H24ClNO2
- Average molar mass
- 357.9 g/mol
- Monoisotopic mass
- 357.1495567
Names & identifiers
- Preferred name
- Cinnamic acid, beta-(1-pyrrolidinyl)phenethyl ester, hydrochloride
- IUPAC
- 2-phenylethyl (Z)-3-phenyl-3-pyrrolidin-1-ium-1-ylprop-2-enoate chloride
Names & synonyms
CINNAMIC ACID, beta-(1-PYRROLIDINYL)PHENETHYL ESTER, HYDROCHLORIDE111719-47-2RefChem:10818151-Pyrrolidineethanol, beta-phenyl-, cinnamate, hydrochloride
Database identifiers
- CAS
111719-47-2- PubChem CID
- 6435779
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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