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Basic information
- CAS
1290047-51-6- Standard SMILES
CC1CC(=O)CN(Cc2ccccc2)C1- InChIKey
LQHLLGBMPQNQLJ-UHFFFAOYSA-N- Molecular formula
- C13H17NO
- Average molar mass
- 203.285 g/mol
- Monoisotopic mass
- 203.13101416
Names & identifiers
- Preferred name
- 5-Methyl-1-(phenylmethyl)-3-piperidinone
- IUPAC
- 1-Benzyl-5-methylpiperidin-3-one
- English name
- 1-Benzyl-5-methyl-3-piperidinone
- Molecular formula
- C13H17NO
- Molecular weight
- 203.28
Names & synonyms
1-Benzyl-5-methyl-3-piperidinone3-Piperidinone, 5-methyl-1-(phenylmethyl)-
Database identifiers
- CAS
1290047-51-6- PubChem CID
- 22278917
- DTXSID
DTXSID801276078- EC Number
- 829-741-5
Properties
Physicochemical properties
- Boiling point
- 302.9 · 302.9±35.0 °C(Predicted)
- Density
- 1.057 · 1.057±0.06 g/cm3(Predicted)
- pka
- 6.14 · 6.14±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses1-Benzyl-5-methylpiperidin-3-one is used in the preparation of diazepanone which is used as chemokine receptor antagonists for treatment of inflammatory diseases.
Suppliers4 total
韶远科技（上海）有限公司4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
2 records
Compound notes
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