Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester
Basic information
- CAS
78330-00-4- Standard SMILES
CCOc1ccc(C(=O)OCCCN(CC)CC)cc1- InChIKey
PERHZJYCAWAXHS-UHFFFAOYSA-N- Molecular formula
- C16H25NO3
- Average molar mass
- 279.37 g/mol
- Monoisotopic mass
- 279.18344366
Names & identifiers
- Preferred name
- Benzoic acid, 4-ethoxy, 3-(diethylamino)propyl ester
- IUPAC
- 3-(diethylamino)propyl 4-ethoxybenzoate
Names & synonyms
4-Ethoxybenzoic acid 3-(diethylamino)propyl ester3-(Diethylamino)propyl-4-ethoxybenzoateBRN 3324041gamma-(Diethylamino)propyl 4-ethoxybenzoateBENZOIC ACID, 4-ETHOXY, 3-(DIETHYLAMINO)PROPYL ESTER78330-00-4DTXSID502289993-10-00-00332 (Beilstein Handbook Reference)RefChem:327578DTXCID501514903-(diethylamino)propyl 4-ethoxybenzoate
Database identifiers
- CAS
78330-00-4- PubChem CID
- 49085
- DTXSID
DTXSID50228999- Nikkaji
- J83.394K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 258
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Compound notes
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