Basic information
- CAS
111862-90-9- Standard SMILES
O=P(CNc1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
CXKRKEPFXKTYEJ-UHFFFAOYSA-N- Molecular formula
- C19H18NOP
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.1126012
Names & identifiers
- Preferred name
- Benzenamine, N-[(diphenylphosphinyl)methyl]-
- IUPAC
- N-(diphenylphosphorylmethyl)aniline
- English name
- N-(diphenylphosphorylmethyl)aniline
- Molecular formula
- C19H18NOP
- Molecular weight
- 307.33
Names & synonyms
111862-90-9Diphenyl((phenylamino)methyl)phosphine oxideBenzenamine, N-[(diphenylphosphinyl)methyl]-DTXSID30461029N-(diphenyl-phosphorylmethyl)anilineN-[(Diphenylphosphoryl)methyl]anilineN-(diphenylphosphorylmethyl)aniline
Database identifiers
- CAS
111862-90-9- PubChem CID
- 11278221
- DTXSID
DTXSID30461029
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 136 · 136-137 °C
- Boiling point
- 469 · 469.0±28.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 3.14 · 3.14±0.50(Predicted)
Chemistry & industry
Suppliers1 total
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…