Basic information
- CAS
50563-41-2- Standard SMILES
COCCN(C(=O)CCl)c1ccccc1C- InChIKey
SXAAVRUIADQETA-UHFFFAOYSA-N- Molecular formula
- C12H16ClNO2
- Average molar mass
- 241.71 g/mol
- Monoisotopic mass
- 241.0869564
Names & identifiers
- Preferred name
- 2-chloro-N-(2-methoxyethyl)-N-(2-methylphenyl)acetamide
- IUPAC
- 2-chloro-N-(2-methoxyethyl)-N-(2-methylphenyl)acetamide
- English name
- toluin
- Molecular formula
- C12H16ClNO2
- Molecular weight
- 241.71
Names & synonyms
Toluin50563-41-22-chloro-N-(2-methoxyethyl)-N-(2-methylphenyl)acetamideDTXSID10198588RefChem:190315DTXCID701210792-chloro-N-(2-methoxyethyl)-N-(o-tolyl)acetamide90454-25-4BRN 60618792-Chloro-N-(2-methoxyethyl)-o-acetotoluidideAcetamide, 2-chloro-N-(2-methoxyethyl)-N-(2-methylphenyl)-o-Acetotoluidide, 2-chloro-N-(2-methoxyethyl)-
Show more names
N-chloroacetyl-N-(2-methoxyethyl)-2-methylaniline
SCHEMBL92128852-Chloro-N-(2-methoxyethyl)-N-(methylphenyl)-AcetamideSTL590358AKOS030508335
Database identifiers
- CAS
50563-41-2- PubChem CID
- 39723
- DTXSID
DTXSID10198588- Nikkaji
- J1.619.413A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 168 · 168-172 °C(Press: 5 Torr)
- Density
- 1.168 g/cm3 · 1.1680 g/cm3
- pka
- 0.89 · 0.89±0.50(Predicted)
Chemistry & industry
Suppliers1 total
Interbioscreen Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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