Basic information
- CAS
301690-18-6- Standard SMILES
CN(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1- InChIKey
CFGJXJSRSXUEHG-UHFFFAOYSA-N- Molecular formula
- C20H25NO2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.18852904
Names & identifiers
- Preferred name
- N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide
- IUPAC
- N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide
- English name
- N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide
- Molecular formula
- C20H25NO2
- Molecular weight
- 311.42
Names & synonyms
N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide301690-18-6F0910-0686Oprea1_276295Oprea1_841961MLS001194687N-benzyl-2-(4-(tert-butyl)phenoxy)-N-methylacetamideCHEMBL1512526HMS2879B12SMSSF-0062083STK184722AKOS001598697
Show more names
Acetamide, 2-[4-(1,1-dimethylethyl)phenoxy]-N-methyl-N-(phenylmethyl)-
SMR000555007ST030122N-benzyl-N-methyl(p-tert-butylphenoxy)acetamideAO-365/12196113SR-01000419648SR-01000419648-12-[4-(tert-butyl)phenoxy]-N-methyl-N-benzylacetamide
Database identifiers
- CAS
301690-18-6- PubChem CID
- 710356
- ChEMBL
CHEMBL1512526- EC Number
- 140-052-2
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 360
Experimental & physicochemical properties
Solubility<0.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 461.9 · 461.9±45.0 °C(Predicted)
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- pka
- -0.86 · -0.86±0.70(Predicted)
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, 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 CategoriesSkin Sens. 1 (100%)
Chemistry & industry
Suppliers4 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
VITAS-BB—
IFLAB-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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