Basic information
- CAS
85684-51-1- Standard SMILES
Cc1ccc(NCP(=O)(CNc2ccc(C)cc2)c2ccccc2)cc1- InChIKey
BHXGJLPTBUIKHS-UHFFFAOYSA-N- Molecular formula
- C22H25N2OP
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.17045042
Names & identifiers
- Preferred name
- Benzenamine, N,N'-((phenylphosphinylidene)bis(methylene))bis(4-methyl-
- IUPAC
- 4-methyl-N-[[(4-methylanilino)methyl-phenylphosphoryl]methyl]aniline
- English name
- Di(p-toluidinomethyl)phenylphosphine oxide
- Molecular formula
- C22H25N2OP
- Molecular weight
- 364.43
Names & synonyms
BRN 5096875Di(p-toluidinomethyl)phenylphosphine oxideBENZENAMINE, N,N'-((PHENYLPHOSPHINYLIDENE)BIS(METHYLENE))BIS(4-METHYL-85684-51-1DTXSID50234974N,N'-((Phenylphosphinylidene)bis(methylene))bis(4-methylbenzenamine)RefChem:322937DTXCID80157465di-(p-tolylaminomethyl)phenylphosphine oxideN,N'-[(Phenylphosphoryl)bis(methylene)]bis(4-methylaniline)Benzenamine, N,N'-[(phenylphosphinylidene)bis(methylene)]bis[4-methyl- (9CI)
Database identifiers
- CAS
85684-51-1- PubChem CID
- 55375
- DTXSID
DTXSID50234974
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Melting point
- 167 · 167-168 °C(Solv: acetone (67-64-1))
- Boiling point
- 618.8 · 618.8±55.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 3.62 · 3.62±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
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