Basic information
- CAS
6328-01-4- Standard SMILES
CCOC(=O)C=Cc1cccc(N)c1- InChIKey
UEUURYZTMLPUEE-UHFFFAOYSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- 3-Aminocinnamic acid ethyl ester
- IUPAC
- ethyl 3-(3-aminophenyl)prop-2-enoate
Names & synonyms
3-aminocinnamic acid ethyl esterethyl 3-(3-aminophenyl)prop-2-enoateEthyl-3-aminocinnamate3-(3-aminophenyl)-2-propenoic acid ethyl ester(E)-3-(3-aminophenyl)-2-propenoic acid ethyl esterSCHEMBL1177764UEUURYZTMLPUEE-UHFFFAOYSA-NDTXSID1013722793-(3-Aminophenyl)acrylic acid ethyl ester3-(3-Amino-phenyl)-acrylic acid ethyl ester
Database identifiers
- CAS
6328-01-4- PubChem CID
- 97825
- DTXSID
DTXSID101372279
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Related reactions
72 records
Compound notes
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