Ethyl 3-[4-(dimethylamino)phenyl]prop-2-enoate

HCID 367199

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Basic information

CAS: 528521-91-7
Standard SMILES: CCOC(=O)C=Cc1ccc(N(C)C)cc1
InChIKey: MNUCAAWKJBVDCA-UHFFFAOYSA-N
Molecular formula: C13H17NO2
Average molar mass: 219.28 g/mol
Monoisotopic mass: 219.12592879

Names & identifiers

Preferred name: Ethyl 3-[4-(dimethylamino)phenyl]prop-2-enoate
IUPAC: ethyl 3-[4-(dimethylamino)phenyl]prop-2-enoate

Names & synonyms

ethyl 3-[4-(dimethylamino)phenyl]prop-2-enoate528521-91-71552-97-22-Propenoic acid, 3-[4-(dimethylamino)phenyl]-, ethyl ester, (2Z)-2-Propenoic acid, 3-[4-(dimethylamino)phenyl]-, ethyl esterethyl 4-dimethylaminocinnamateSCHEMBL10851526DTXSID40327182MNUCAAWKJBVDCA-UHFFFAOYSA-NAKOS034080532E738734-(N,N-DIETHYLAMINO)CINNAMIC ACID ETHYL ESTER

Database identifiers

CAS: 528521-91-7
PubChem CID: 367199
DTXSID: DTXSID40327182

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 240

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