3-(Dibutylamino)propyl 4-ethoxy-3-fluorobenzoate--hydrogen chloride (1/1)
Basic information
- CAS
3829-92-3- Standard SMILES
CCCC[NH+](CCCC)CCCOC(=O)c1ccc(OCC)c(F)c1.[Cl-]- InChIKey
QLHYGQJZPDLPKC-UHFFFAOYSA-N- Molecular formula
- C20H33ClFNO3
- Average molar mass
- 389.9 g/mol
- Monoisotopic mass
- 389.2132998
Names & identifiers
- Preferred name
- 3-(Dibutylamino)propyl 4-ethoxy-3-fluorobenzoate--hydrogen chloride (1/1)
- IUPAC
- dibutyl-[3-(4-ethoxy-3-fluorobenzoyl)oxypropyl]azanium chloride
Names & synonyms
3829-92-3DTXSID309592143-(Dibutylamino)propyl 4-ethoxy-3-fluorobenzoate--hydrogen chloride (1/1)RefChem:1067036DTXCID4013871004-Ethoxy-3-fluorobenzoic acid 3-(dibutylamino)propyl ester hydrochlorideFluoro-3 ethoxy-4 benzoate de gamma-dibutylaminopropyle chlorhydrate [French]BENZOIC ACID, 4-ETHOXY-3-FLUORO-, 3-(DIBUTYLAMINO)PROPYL ESTER, HYDROCHLORIDEFluoro-3 ethoxy-4 benzoate de gamma-dibutylaminopropyle chlorhydrate
Database identifiers
- CAS
3829-92-3- PubChem CID
- 19679
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
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Compound notes
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