1-Benzyl-2,5-dimethylpiperidin-3-one
Basic information
- CAS
1315365-84-4- Standard SMILES
CC1CC(=O)C(C)N(Cc2ccccc2)C1- InChIKey
FABAJOBMSRCVJN-UHFFFAOYSA-N- Molecular formula
- C14H19NO
- Average molar mass
- 217.31 g/mol
- Monoisotopic mass
- 217.14666423
Names & identifiers
- Preferred name
- 1-Benzyl-2,5-dimethylpiperidin-3-one
- IUPAC
- 1-benzyl-2,5-dimethylpiperidin-3-one
Names & synonyms
1-benzyl-2,5-dimethylpiperidin-3-one1315365-84-4RefChem:429781983-979-5QCC365841-benzyl-2,5-dimethyl-piperidin-3-oneCS-0261531EN300-78891
Database identifiers
- CAS
1315365-84-4- PubChem CID
- 54593754
- EC Number
- 983-979-5
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
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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