2-Chloro-1-(4,5-dimethyl-3,6-dihydropyridin-1(2H)-yl)propan-1-one
Basic information
- CAS
54152-10-2- Standard SMILES
CC1=C(C)CN(C(=O)C(C)Cl)CC1- InChIKey
DUIKVYXDLASOIC-UHFFFAOYSA-N- Molecular formula
- C10H16ClNO
- Average molar mass
- 201.69 g/mol
- Monoisotopic mass
- 201.0920418
Names & identifiers
- Preferred name
- 2-Chloro-1-(4,5-dimethyl-3,6-dihydropyridin-1(2H)-yl)propan-1-one
- IUPAC
- 2-chloro-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
- English name
- Pyridine, 1-(2-chloro-1-oxopropyl)-1,2,3,6-tetrahydro-4,5-dimethyl- (9CI)
- Molecular formula
- C10H16ClNO
- Molecular weight
- 201.69
Names & synonyms
54152-10-2DTXSID306642502-Chloro-1-(4,5-dimethyl-3,6-dihydropyridin-1(2H)-yl)propan-1-oneDB-327354PYRIDINE, 1-(2-CHLORO-1-OXOPROPYL)-1,2,3,6-TETRAHYDRO-4,5-DIMETHYL-Pyridine, 1-(2-chloro-1-oxopropyl)-1,2,3,6-tetrahydro-4,5-dimethyl- (9CI)
Database identifiers
- CAS
54152-10-2- PubChem CID
- 45080974
- DTXSID
DTXSID30664250
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Boiling point
- 300.5 · 300.5±42.0 °C(Predicted)
- Density
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- pka
- -0.96 · -0.96±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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