Basic information
- CAS
324546-93-2- Standard SMILES
Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1C- InChIKey
YLYHMHFTYWFWEW-UHFFFAOYSA-N- Molecular formula
- C19H23NO
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.17796436
Names & identifiers
- Preferred name
- 4-Tert-butyl-N-(3,4-dimethylphenyl)benzamide
- IUPAC
- 4-tert-butyl-N-(3,4-dimethylphenyl)benzamide
- English name
- 4-tert-butyl-N-(3,4-dimethylphenyl)benzamide
- Molecular formula
- C19H23NO
- Molecular weight
- 281.39
Names & synonyms
4-tert-butyl-N-(3,4-dimethylphenyl)benzamide324546-93-2RefChem:526838651-044-8SCHEMBL7301385STK873812AKOS000523395ST45186169AG-690/11152216[4-(tert-butyl)phenyl]-N-(3,4-dimethylphenyl)carboxamideBenzamide, 4-(1,1-dimethylethyl)-N-(3,4-dimethylphenyl)-
Database identifiers
- CAS
324546-93-2- PubChem CID
- 809347
- EC Number
- 651-044-8
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 349.4 · 349.4±41.0 °C(Predicted)
- Density
- 1.051 · 1.051±0.06 g/cm3(Predicted)
- pka
- 13.8 · 13.80±0.70(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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