Benzenemethanamine, 3-fluoro-N-pentyl-
Basic information
- CAS
90389-88-1- Standard SMILES
CCCCCNCc1cccc(F)c1- InChIKey
BNRDILKFRANWCB-UHFFFAOYSA-N- Molecular formula
- C12H18FN
- Average molar mass
- 195.28 g/mol
- Monoisotopic mass
- 195.14232774
Names & identifiers
- Preferred name
- Benzenemethanamine, 3-fluoro-N-pentyl-
- IUPAC
- N-[(3-fluorophenyl)methyl]pentan-1-amine
- English name
- AIDS011081
- Molecular formula
- C12H18FN
- Molecular weight
- 195.28
Names & synonyms
90389-88-1Benzenemethanamine, 3-fluoro-N-pentyl-DTXSID90238118RefChem:324743DTXCID10160609N-[(3-fluorophenyl)methyl]pentan-1-amine3-Fluoro-N-n-pentylbenzylaminen-(3-Fluorobenzyl)pentan-1-amine[(3-FLUOROPHENYL)METHYL](PENTYL)AMINECHEMBL1182831AKOS000231264CS-0297615
Show more names
AIDS0110813-Fluoro-N-n-pentylbenzylaMine, 97%
EN300-163053
Database identifiers
- CAS
90389-88-1- PubChem CID
- 457582
- DTXSID
DTXSID90238118- ChEMBL
CHEMBL1182831
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 251 · 251.0±15.0 °C(Predicted)
- Density
- 0.97 · 0.970±0.06 g/cm3(Predicted)
- pka
- 9.49 · 9.49±0.19(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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