Basic information
- CAS
851903-39-4- Standard SMILES
CC(=O)N(C)Cc1ccc(C(=O)CCl)cc1- InChIKey
KASXQVKGTIOCGV-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO2
- Average molar mass
- 239.7 g/mol
- Monoisotopic mass
- 239.0713064
Names & identifiers
- Preferred name
- N-((4-(2-chloroacetyl)phenyl)methyl)-N-methylacetamide
- IUPAC
- N-[[4-(2-chloroacetyl)phenyl]methyl]-N-methylacetamide
Names & synonyms
851903-39-4N-{[4-(2-chloroacetyl)phenyl]methyl}-N-methylacetamideN-[[4-(2-chloroacetyl)phenyl]methyl]-N-methylacetamideN-((4-(2-chloroacetyl)phenyl)methyl)-N-methylacetamideRefChem:823006872-419-4N-[4-(chloroacetyl)benzyl]-N-methylacetamideMLS000771840SCHEMBL4338566CHEMBL1300695N-[[4-(2-chloroacetyl)phenyl]methyl]-N-methyl-AcetamideHMS2708M16
Show more names
BJB90339MFCD06655286AKOS030700395NCGC00660464-01SMR000344204DB-308857EN300-12302G22197
Database identifiers
- CAS
851903-39-4- PubChem CID
- 2531772
- ChEMBL
CHEMBL1300695- EC Number
- 872-419-4
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, 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. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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