Basic information
- CAS
1016520-87-8- Standard SMILES
COC(=O)C1CCN(C(=O)CC(C)=O)CC1- InChIKey
RNJIAZNZYCFTBZ-UHFFFAOYSA-N- Molecular formula
- C11H17NO4
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.11575802
Names & identifiers
- Preferred name
- Methyl 1-(3-oxobutanoyl)piperidine-4-carboxylate
- IUPAC
- methyl 1-(3-oxobutanoyl)piperidine-4-carboxylate
Names & synonyms
methyl 1-(3-oxobutanoyl)piperidine-4-carboxylate1016520-87-8SCHEMBL14902197RQB52087AKOS000166516EN300-59007methyl1-(3-oxobutanoyl)piperidine-4-carboxylate
Database identifiers
- CAS
1016520-87-8- PubChem CID
- 18072004
- EC Number
- 156-595-3
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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