Basic information
- CAS
77945-08-5- Standard SMILES
CCCCC/C(=C\c1ccccc1)C(=O)OCCN(CC)CC- InChIKey
GIEYSQGTCUJARL-HTXNQAPBSA-N- Molecular formula
- C20H31NO2
- Average molar mass
- 317.5 g/mol
- Monoisotopic mass
- 317.23547923
Names & identifiers
- Preferred name
- Cinnamic acid, alpha-pentyl-, 2-(diethylamino)ethyl ester
- IUPAC
- 2-(diethylamino)ethyl (2E)-2-benzylideneheptanoate
Names & synonyms
CINNAMIC ACID, alpha-PENTYL-, 2-(DIETHYLAMINO)ETHYL ESTER77945-08-5RefChem:1081811alpha-Amylcinnamic acid 2-(diethylamino)ethyl esterBRN 31493232-(Diethylamino)ethyl alpha-amylcinnamate2-(Diethylamino)ethyl alpha-pentylcinnamatebeta-(Diethylamino)ethyl alpha-amylcinnamatealpha-Pentylcinnamic acid 2-(diethylamino)ethyl esterHeptanoic acid, 2-(phenylmethylene)-, 2-(diethylamino)ethyl ester3-09-00-02859 (Beilstein Handbook Reference)
Database identifiers
- CAS
77945-08-5- PubChem CID
- 6435367
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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