N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-2-phenylacetamide
Basic information
- CAS
302819-89-2- Standard SMILES
CC(C)(C)NC(NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl- InChIKey
KEBWQOKEYWRUAU-UHFFFAOYSA-N- Molecular formula
- C14H19Cl3N2O
- Average molar mass
- 337.7 g/mol
- Monoisotopic mass
- 336.056296
Names & identifiers
- Preferred name
- N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-2-phenylacetamide
- IUPAC
- N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-2-phenylacetamide
- English name
- N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-2-phenylacetamide
- Molecular formula
- C14H19Cl3N2O
- Molecular weight
- 337.67
Names & synonyms
N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-2-phenylacetamideSMR000184616MLS000573766N-(1-(TERT-BUTYLAMINO)-2,2,2-TRICHLOROETHYL)-2-PHENYLACETAMIDECBDivE_003653CHEMBL1459495BDBM45017cid_2831367HMS2375D14STK809811AKOS002162829AKOS016289586
Show more names
Benzeneacetamide, N-[2,2,2-trichloro-1-[(1,1-dimethylethyl)amino]ethyl]-
SR-01000197301SR-01000197301-1N-[1-(tert-butylamino)-2,2,2-trichloro-ethyl]-2-phenyl-acetamideN-[1-(tert-butylamino)-2,2,2-tris(chloranyl)ethyl]-2-phenyl-ethanamide302819-89-2
Database identifiers
- CAS
302819-89-2- PubChem CID
- 2831367
- ChEMBL
CHEMBL1459495- EC Number
- 169-288-4
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Boiling point
- 442.2 · 442.2±45.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- 13.84 · 13.84±0.46(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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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