1-(4-Fluorophenyl)butan-1-amine
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Basic information
- CAS
321839-98-9- Standard SMILES
CCCC(N)c1ccc(F)cc1- InChIKey
ZIQUQHBBALXDFL-UHFFFAOYSA-N- Molecular formula
- C10H14FN
- Average molar mass
- 167.22 g/mol
- Monoisotopic mass
- 167.11102761
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)butan-1-amine
- IUPAC
- 1-(4-fluorophenyl)butan-1-amine
- English name
- 1-(4-fluorophenyl)butan-1-amine
- Molecular formula
- C10H14FN
- Molecular weight
- 167.22
Names & synonyms
1-(4-fluorophenyl)butan-1-amine321839-98-91-(4-fluorophenyl)butylamineSCHEMBL3406829SCHEMBL7928876AKOS000164362AKOS022272142SB45472DB-180151EN300-242117Benzenemethanamine, 4-fluoro-α-propyl-
Database identifiers
- CAS
321839-98-9- PubChem CID
- 18507849
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Boiling point
- 226.2 · 226.2±15.0 °C(Predicted)
- Density
- 1.02 · 1.020±0.06 g/cm3(Predicted)
- pka
- 9.25 · 9.25±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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