Basic information
- CAS
495-65-8- Standard SMILES
CCCCN(CCCC)CCOC(=O)c1ccc(F)cc1.Cl- InChIKey
CMWBRWHYPIGOMG-UHFFFAOYSA-N- Molecular formula
- C17H27ClFNO2
- Average molar mass
- 331.9 g/mol
- Monoisotopic mass
- 331.171435
Names & identifiers
- Preferred name
- Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1)
- IUPAC
- 2-(dibutylamino)ethyl 4-fluorobenzoate;hydrochloride
Names & synonyms
Dibutylaminoethyl p-fluorobenzoate hydrochloride495-65-8DTXSID60197809RefChem:1079189DTXCID70120300Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1)Dibutylaminoethyl p-fluorobenzoate HClBENZOIC ACID, p-FLUORO-, DIBUTYLAMINOETHYL ESTER, HYDROCHLORIDE2-(Dibutylamino)ethyl 4-fluorobenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
495-65-8- PubChem CID
- 10318
- DTXSID
DTXSID60197809
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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