Basic information
- CAS
305859-65-8- Standard SMILES
O=C(Cc1ccccc1)N1CCCCC1CCl- InChIKey
VZACRKPSAVYYKL-UHFFFAOYSA-N- Molecular formula
- C14H18ClNO
- Average molar mass
- 251.75 g/mol
- Monoisotopic mass
- 251.1076919
Names & identifiers
- Preferred name
- 1-(2-Chloromethyl-piperidin-1-YL)-2-phenyl-ethanone
- IUPAC
- 1-[2-(chloromethyl)piperidin-1-yl]-2-phenylethanone
- English name
- 1-(2-Chloromethyl-piperidin-1-yl)-2-phenyl-ethanone
- Molecular formula
- C14H18ClNO
- Molecular weight
- 251.75
Names & synonyms
AKOS0061999001-(2-CHLOROMETHYL-PIPERIDIN-1-YL)-2-PHENYL-ETHANONEEthanone, 1-[2-(chloromethyl)-1-piperidinyl]-2-phenyl-
Database identifiers
- CAS
305859-65-8- PubChem CID
- 3694320
- EC Number
- 158-362-1
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Boiling point
- 417.014 · 417.014±28.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.134 · 1.134±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.435 · 1.435±0.40(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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