1-Tert-butyl 2-ethyl piperidine-1,2-dicarboxylate
Basic information
- CAS
362703-48-8- Standard SMILES
CCOC(=O)C1CCCCN1C(=O)OC(C)(C)C- InChIKey
KBDNAOCLKIBYPH-UHFFFAOYSA-N- Molecular formula
- C13H23NO4
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.16270821
Names & identifiers
- Preferred name
- 1-Tert-butyl 2-ethyl piperidine-1,2-dicarboxylate
- IUPAC
- 1-O-tert-butyl 2-O-ethyl piperidine-1,2-dicarboxylate
- English name
- Ethyl N-BOC-piperidine-2-carboxylate
- Molecular formula
- C13H23NO4
- Molecular weight
- 257.33
Names & synonyms
1-tert-butyl 2-ethyl piperidine-1,2-dicarboxylateRefChem:436586963-234-0362703-48-8Ethyl 1-Boc-piperidine-2-carboxylateEthyl N-Boc-piperidine-2-carboxylate1,2-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-ethyl esterMFCD037884521-O-tert-butyl 2-O-ethyl piperidine-1,2-dicarboxylateEthyl N-BOC-pipecolinateSCHEMBL444202O1-tert-butyl O2-ethyl piperidine-1,2-dicarboxylate
Show more names
N-Boc- Piperidine-2-carboxylateN-boc - piperidine-2-carboxylate, ethyl esterN-Boc-2-piperidinecarboxylic acid ethyl ester1-(tert-Butyl) 2-ethyl 1,2-piperidinedicarboxylateEthyl 1-Boc-piperidine-2-carboxylate CAS362703-48-81-[3,3-dimethylbutoxy(oxo)methyl]-2-piperidinecarboxylic acid
DTXSID20408125KBDNAOCLKIBYPH-UHFFFAOYSA-NALBB-028028AKOS005259780AC-22465DS-11043SY023684CS-0008353
Database identifiers
- CAS
362703-48-8- PubChem CID
- 5080129
- DTXSID
DTXSID20408125- EC Number
- 963-234-0
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Boiling point
- 323.9 · 323.9±35.0 °C(Predicted)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -3.16 · -3.16±0.40(Predicted)
- Appearance
- Light yellow to yellow Liquid
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301+H331-H315-H319-H334-H335
- Precautionary statements
- 501 · P501-P261-P270-P271-P264-P280-P284-P302+P352-P342+P311-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P405
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- Hazard statements
- H301+H331-H315-H319-H334-H335
- Precautionary statements
- P501-P261-P270-P271-P264-P280-P284-P302+P352-P342+P311-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P405
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Related reactions
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Compound notes
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