Phenyl(4-phenyl-1h-1,5-benzodiazepin-2-yl)methanone
Basic information
- CAS
53878-76-5- Standard SMILES
O=C(C1=CC(c2ccccc2)=Nc2ccccc2N1)c1ccccc1- InChIKey
RXDBRQDGFJSHAT-UHFFFAOYSA-N- Molecular formula
- C22H16N2O
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.12626314
Names & identifiers
- Preferred name
- Phenyl(4-phenyl-1h-1,5-benzodiazepin-2-yl)methanone
- IUPAC
- phenyl-(4-phenyl-1H-1,5-benzodiazepin-2-yl)methanone
Names & synonyms
phenyl(4-phenyl-1h-1,5-benzodiazepin-2-yl)methanone53878-76-5phenyl-(4-phenyl-1H-1,5-benzodiazepin-2-yl)methanoneNSC152541Valproic Acid Impurity 74DTXSID70302664AKOS024405847NSC-152541ST51224279
Database identifiers
- CAS
53878-76-5- PubChem CID
- 289992
- DTXSID
DTXSID70302664- EC Number
- 123-347-0
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 538
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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