4-Tert-butyl-N-(2-phenylethyl)benzamide
Basic information
- CAS
324546-94-3- Standard SMILES
CC(C)(C)c1ccc(C(=O)NCCc2ccccc2)cc1- InChIKey
BRWOQCXXKVWYTL-UHFFFAOYSA-N- Molecular formula
- C19H23NO
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.17796436
Names & identifiers
- Preferred name
- 4-Tert-butyl-N-(2-phenylethyl)benzamide
- IUPAC
- 4-tert-butyl-N-(2-phenylethyl)benzamide
- English name
- 4-tert-butyl-N-(2-phenylethyl)benzamide
- Molecular formula
- C19H23NO
- Molecular weight
- 281.39
Names & synonyms
4-tert-butyl-N-(2-phenylethyl)benzamide324546-94-3RefChem:526837650-905-54-tert-Butyl-N-phenethyl-benzamideCambridge id 5572515MLS001204217CHEMBL1381377SCHEMBL11952643HMS2867P19STK222965AKOS000640642
Show more names
4-(1,1-Dimethylethyl)-N-(2-phenylethyl)benzamideBenzamide, 4-(1,1-dimethylethyl)-N-(2-phenylethyl)-
SMR000518410ST45186136AG-690/11152191AG-690/12765592[4-(tert-butyl)phenyl]-N-(2-phenylethyl)carboxamideZ27761605
Database identifiers
- CAS
324546-94-3- PubChem CID
- 809340
- ChEMBL
CHEMBL1381377- EC Number
- 650-905-5
- Nikkaji
- J3.150.129F
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 317
Experimental & physicochemical properties
Solubility0.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 447.1 · 447.1±34.0 °C(Predicted)
- Density
- 1.028 · 1.028±0.06 g/cm3(Predicted)
- pka
- 14.84 · 14.84±0.46(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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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