Benzoic acid, p-fluoro-, dipropylaminopropyl ester, hydrochloride
Basic information
- CAS
451-61-6- Standard SMILES
CCCN(CCC)CCCOC(=O)c1ccc(F)cc1.Cl- InChIKey
CQPOSPLRVDQCTE-UHFFFAOYSA-N- Molecular formula
- C16H25ClFNO2
- Average molar mass
- 317.82 g/mol
- Monoisotopic mass
- 317.1557849
Names & identifiers
- Preferred name
- Benzoic acid, p-fluoro-, dipropylaminopropyl ester, hydrochloride
- IUPAC
- 3-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride
Names & synonyms
Dipropylaminopropyl p-fluorobenzoate hydrochloride451-61-6BENZOIC ACID, p-FLUORO-, DIPROPYLAMINOPROPYL ESTER, HYDROCHLORIDEDTXSID50196381RefChem:327944DTXCID601188723-(Dipropylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
451-61-6- PubChem CID
- 9949
- DTXSID
DTXSID50196381
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 259
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Compound notes
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