Basic information
- CAS
38771-49-2- Standard SMILES
CC(Cc1ccccc1)N=Cc1c(F)c(F)c(F)c(F)c1F- InChIKey
NTJVUXJLAXMDPP-UHFFFAOYSA-N- Molecular formula
- C16H12F5N
- Average molar mass
- 313.26 g/mol
- Monoisotopic mass
- 313.0889902
Names & identifiers
- Preferred name
- Benzeneethanamine, alpha-methyl-N-[(pentafluorophenyl)methylene]-
- IUPAC
- 1-(2,3,4,5,6-pentafluorophenyl)-N-(1-phenylpropan-2-yl)methanimine
- English name
- N-[(E)-(2,3,4,5,6-Pentafluorophenyl)methylidene]-1-phenyl-2-propanamin e
- Molecular formula
- C16H12F5N
- Molecular weight
- 313.27
Names & synonyms
38771-49-2Benzeneethanamine, .alpha.-methyl-N-[(pentafluorophenyl)methylene]-1-(2,3,4,5,6-pentafluorophenyl)-N-(1-phenylpropan-2-yl)methanimineDTXSID60346653NTJVUXJLAXMDPP-GZIVZEMBSA-NDB-223275(E)-1-(pentafluorophenyl)-N-(1-phenyl-2-propanyl)methanimine(E)-1-(Pentafluorophenyl)-N-(1-phenylpropan-2-yl)methanimineN-[(E)-(2,3,4,5,6-Pentafluorophenyl)methylidene]-1-phenyl-2-propanamine #α-Methyl-N-(2,3,4,5,6-pentafluorobenzylidene)benzeneethanamineN-[(E)-(2,3,4,5,6-Pentafluorophenyl)methylidene]-1-phenyl-2-propanamin e
Database identifiers
- CAS
38771-49-2- PubChem CID
- 613809
- DTXSID
DTXSID60346653- Nikkaji
- J111.504I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Boiling point
- 337.418 · 337.418±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.246 · 1.246±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.599 · 3.599±0.50(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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