Basic information
- CAS
31029-96-6- Standard SMILES
Nc1ccc(C(=O)C(=O)c2ccccc2)cc1- InChIKey
JHBUKUKCTQDSAN-UHFFFAOYSA-N- Molecular formula
- C14H11NO2
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.07897859
Names & identifiers
- Preferred name
- 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione
- IUPAC
- 1-(4-aminophenyl)-2-phenylethane-1,2-dione
- English name
- 1-(4-Aminophenyl)-2-phenyl-1,2-ethanedione
- Molecular formula
- C14H11NO2
- Molecular weight
- 225.24
Names & synonyms
1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dioneRefChem:424747621-777-8Ethanedione, (4-aminophenyl)phenyl-31029-96-61-(4-aminophenyl)-2-phenylethane-1,2-dione1-(4-Aminophenyl)-2-phenyl-1,2-ethanedione1-(4-aminophenyl)-2-phenyl-ethane-1,2-dione4-amino-benzilCBDivE_012517MLS001178893SCHEMBL7887870
Show more names
1,2-Ethanedione, 1-(4-aminophenyl)-2-phenyl-
CHEMBL1893163DTXSID70341972JHBUKUKCTQDSAN-UHFFFAOYSA-NHMS2812J06SBB096825AKOS022655414SMR000476302ST010106
Database identifiers
- CAS
31029-96-6- PubChem CID
- 577464
- DTXSID
DTXSID70341972- ChEMBL
CHEMBL1893163- EC Number
- 621-777-8
- Nikkaji
- J2.387.130K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Experimental & physicochemical properties
Solubility>33.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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