Basic information
- CAS
1153396-37-2- Standard SMILES
Nc1ccc(F)cc1CN1CCc2ccccc2C1- InChIKey
HUAOIBGTZSVOJH-UHFFFAOYSA-N- Molecular formula
- C16H17FN2
- Average molar mass
- 256.32 g/mol
- Monoisotopic mass
- 256.13757671
Names & identifiers
- Preferred name
- 2-[3,4-Dihydro-2(1H)-isoquinolinylmethyl]-4-fluoroaniline
- IUPAC
- 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-fluoroaniline
- English name
- 2-[3,4-Dihydro-2(1H)-isoquinolinylmethyl]-4-fluoroaniline
- Molecular formula
- C16H17FN2
- Molecular weight
- 256.32
Names & synonyms
1153396-37-22-[3,4-DIHYDRO-2(1H)-ISOQUINOLINYLMETHYL]-4-FLUOROANILINE2-((3,4-Dihydroisoquinolin-2(1H)-yl)methyl)-4-fluoroaniline2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-fluoroanilineAKOS009478233Benzenamine, 2-[(3,4-dihydro-2(1H)-isoquinolinyl)methyl]-4-fluoro-
Database identifiers
- CAS
1153396-37-2- PubChem CID
- 43443723
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Boiling point
- 393.5 · 393.5±37.0 °C(Predicted)
- Density
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- pka
- 7.36 · 7.36±0.20(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…