Agn-PC-0jtuqi
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Basic information
- CAS
29098-27-9- Standard SMILES
Cc1cc(C)c(B(N=Cc2ccccc2)c2c(C)cc(C)cc2C)c(C)c1- InChIKey
RPWALCHPJZWZEP-UHFFFAOYSA-N- Molecular formula
- C25H28BN
- Average molar mass
- 353.3 g/mol
- Monoisotopic mass
- 353.2314801
Names & identifiers
- Preferred name
- Agn-PC-0jtuqi
- IUPAC
- N-bis(2,4,6-trimethylphenyl)boranyl-1-phenylmethanimine
- English name
- Benzylideneaminodimesitylborane
- Molecular formula
- C25H28BN
- Molecular weight
- 353.31
Names & synonyms
AGN-PC-0JTUQIDTXSID2034691229098-27-9N-[Bis(2,4,6-trimethylphenyl)boranyl]-1-phenylmethanimineBenzylideneaminodimesitylborane
Database identifiers
- CAS
29098-27-9- PubChem CID
- 616336
- DTXSID
DTXSID20346912
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- Boiling point
- 488.776 · 488.776±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.945 · 0.945±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.377 · 1.377±0.50(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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