Tert-butyl 2-methyl-5-oxopiperidine-1-carboxylate
Basic information
- CAS
362704-66-3- Standard SMILES
CC1CCC(=O)CN1C(=O)OC(C)(C)C- InChIKey
CSTUUOYWLVVNLE-UHFFFAOYSA-N- Molecular formula
- C11H19NO3
- Average molar mass
- 213.27 g/mol
- Monoisotopic mass
- 213.13649347
Names & identifiers
- Preferred name
- Tert-butyl 2-methyl-5-oxopiperidine-1-carboxylate
- IUPAC
- tert-butyl 2-methyl-5-oxopiperidine-1-carboxylate
- English name
- 1-Boc-2-Methyl-pipridine-5-one
- Molecular formula
- C11H19NO3
- Molecular weight
- 213.27
Names & synonyms
362704-66-3tert-butyl 2-methyl-5-oxopiperidine-1-carboxylateRefChem:892648863-423-71-Boc-2-methyl-piperidin-5-oneMFCD11520583tert-butyl 2-methyl-5-oxo-piperidine-1-carboxylate1-Boc-2-Methyl-pipridine-5-one1-Boc-6-methyl-3-piperidone1-Boc-2-methylpiperidin-5-oneSCHEMBL19390105AKOS015996751
Show more names
1-Boc-2-methyl-piperidin-5-one, 98%1-Piperidinecarboxylic acid, 2-methyl-5-oxo-, 1,1-dimethylethyl ester
SB43453AS-52738SY069266CS-0048411EN300-257131P15566SCHEMBL282025982-methyl-2-propanyl 2-methyl-5-oxo-1-piperidinecarboxylate
Database identifiers
- CAS
362704-66-3- PubChem CID
- 66545682
- EC Number
- 863-423-7
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Boiling point
- 298.8 · 298.8±33.0 °C(Predicted)
- Density
- 1.06 · 1.060±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- -1 · -1+-.0.40(Predicted)
- Appearance
- off-white solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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