N-[1-(benzylamino)-2,2,2-trichloroethyl]-2-phenylacetamide
Basic information
- CAS
302819-91-6- Standard SMILES
O=C(Cc1ccccc1)NC(NCc1ccccc1)C(Cl)(Cl)Cl- InChIKey
LLFYPPLMBWYGOA-UHFFFAOYSA-N- Molecular formula
- C17H17Cl3N2O
- Average molar mass
- 371.7 g/mol
- Monoisotopic mass
- 370.040646
Names & identifiers
- Preferred name
- N-[1-(benzylamino)-2,2,2-trichloroethyl]-2-phenylacetamide
- IUPAC
- N-[1-(benzylamino)-2,2,2-trichloroethyl]-2-phenylacetamide
- English name
- N-[1-(benzylamino)-2,2,2-trichloroethyl]-2-phenylacetamide
- Molecular formula
- C17H17Cl3N2O
- Molecular weight
- 371.69
Names & synonyms
N-[1-(benzylamino)-2,2,2-trichloroethyl]-2-phenylacetamideCBDivE_003693STK808829AKOS002160588AKOS016288781302819-91-6Benzeneacetamide, N-[2,2,2-trichloro-1-[(phenylmethyl)amino]ethyl]-
Database identifiers
- CAS
302819-91-6- PubChem CID
- 2831364
- EC Number
- 169-139-3
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Boiling point
- 512.1 · 512.1±50.0 °C(Predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- pka
- 13.49 · 13.49±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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, 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. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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