4'-tert-Butylacetanilide
Basic information
- CAS
20330-45-4- Standard SMILES
CC(=O)Nc1ccc(C(C)(C)C)cc1- InChIKey
RMUYDDKCUZHVHY-UHFFFAOYSA-N- Molecular formula
- C12H17NO
- Average molar mass
- 191.27 g/mol
- Monoisotopic mass
- 191.13101417
Names & identifiers
- Preferred name
- 4'-tert-Butylacetanilide
- IUPAC
- N-(4-tert-butylphenyl)acetamide
- English name
- 4'-(tert-Butyl)acetanilide
- Molecular formula
- C12H17NO
- Molecular weight
- 191.27
Names & synonyms
4'-tert-ButylacetanilideRefChem:506243633-849-620330-45-4N-(4-tert-Butylphenyl)acetamide4'-(tert-Butyl)acetanilideN-(4-(tert-Butyl)phenyl)acetamidep-tert-ButylacetanilideAcetamide, N-[4-(1,1-dimethylethyl)phenyl]-Acetanilide, 4'-tert-butyl-MFCD00043734p-t-Butylacetanilide
Show more names
NSC 43049TIMTEC-BB SBB0079604-t-Butylacetanilidetert-Butylacetanilide-(tert-Butyl)acetanilide4-t-Butylphenylacetamide
n1-[4-(tert-butyl)phenyl]acetamideZINC76035N-(4-tert-butyl-phenyl)-acetamideN-[4-(tert-butyl)phenyl]acetamideSTK080219AKOS003594699AS-5712CS-0207317
Database identifiers
- CAS
20330-45-4- PubChem CID
- 140672
- DTXSID
DTXSID80174238- EC Number
- 633-849-6
- Nikkaji
- J103.899K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
LogP3.05
Physicochemical properties
- Melting point
- 168 · 168-170°C
- Boiling point
- 333.1 · 333.1±21.0 °C(Predicted)
- Density
- 1.01 · 1.010±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 15.13 · 15.13±0.70(Predicted)
- Appearance
- Off-white to light brown Solid
- CAS DataBase Reference
- 20330 · 20330-45-4(CAS DataBase Reference)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H413-H290
- Precautionary statements
- 501 · P501-P273-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
- Risk Statements
- 36 · 36/37/38
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 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (97.5%)
Safety data
- hs_code
- 2924297099
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- safety_code
- 26-36/37/39
- Hazard statements
- H314-H413-H290
- Precautionary statements
- P501-P273-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Applications
Uses4''-(tert-Butyl)acetanilide is a useful intermediate for organic synthesis.
Upstream & downstream products
Downstream products
Related reactions
8 records
Compound notes
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