Basic information
- CAS
3829-91-2- Standard SMILES
CCCC[NH+](CCCC)CCCOC(=O)c1cc(F)ccc1OCC.[Cl-]- InChIKey
VYYNYHBJFFCHHH-UHFFFAOYSA-N- Molecular formula
- C20H33ClFNO3
- Average molar mass
- 389.9 g/mol
- Monoisotopic mass
- 389.2132998
Names & identifiers
- Preferred name
- Benzoic acid, 2-ethoxy-5-fluoro-, 3-(dibutylamino)propyl ester, hydrochloride (1:1)
- IUPAC
- dibutyl-[3-(2-ethoxy-5-fluorobenzoyl)oxypropyl]azanium chloride
Names & synonyms
3829-91-2RefChem:1078983Benzoic acid, 2-ethoxy-5-fluoro-, 3-(dibutylamino)propyl ester, hydrochloride (1:1)2-Ethoxy-5-fluorobenzoic acid 3-(dibutylamino)propyl ester hydrochlorideFluoro-5-ethoxy-2-benzoate de gamma-dibutylaminopropyle chlorhydrate [French]BENZOIC ACID, 2-ETHOXY-5-FLUORO-, 3-(DIBUTYLAMINO)PROPYL ESTER, HYDROCHLORIDEFluoro-5-ethoxy-2-benzoate de gamma-dibutylaminopropyle chlorhydrate
Database identifiers
- CAS
3829-91-2- PubChem CID
- 19677
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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