CAS 181269-69-2 tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate (HCID 22644642)

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Basic information

CAS: 181269-69-2
Standard SMILES: CC1CN(C(=O)OC(C)(C)C)CCC1=O
InChIKey: VWSBNWIPICCWAM-UHFFFAOYSA-N
Molecular formula: C11H19NO3
Average molar mass: 213.27 g/mol
Monoisotopic mass: 213.13649347

Names & identifiers

Preferred name: tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate
IUPAC: tert-butyl 3-methyl-4-oxopiperidine-1-carboxylate
English name: 1-Boc-3-methyl-piperidin-4-one
Molecular formula: C11H19NO3
Molecular weight: 213.27

Names & synonyms

181269-69-2tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylateDTXSID80939420RefChem:893408DTXCID301367917819-494-1N-Boc-3-Methyl-4-piperidone1-BOC-3-METHYL-4-PIPERIDONE1-Piperidinecarboxylic acid, 3-methyl-4-oxo-, 1,1-dimethylethyl esterMFCD084609621-Boc-3-methyl-piperidin-4-one(R,S)-tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate

Show more names

TERT-BUTYL 3-METHYL-4-N-BOC-3-Methyl-4-oxopiperidine1-Boc-4-oxo-3-methyl-piperidine

N-TERT-BUTOXYCARBONYL-3-METHYL-4-PIPERIDONETERT-BUTYL 3-METHYL-4-OXO-1-PIPERIDINECARBOXYLATE1-Piperidinecarboxylic acid, 3-methyl-4-oxo-, 1,1-dimethylethyl ester, (3R)-3-methyl-4-oxo-piperidine-1-carboxylic acid tert-butyl estertert-butyl 3-methyl-4-oxo-piperidine-1-carboxylateSCHEMBL104498VWSBNWIPICCWAM-UHFFFAOYSA-NCS-D0047

Database identifiers

CAS: 181269-69-2
PubChem CID: 22644642
DTXSID: DTXSID80939420
EC Number

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 46.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 267

Physicochemical properties

Melting point: 45 ° · 45°
Boiling point: 298.8 · 298.8±33.0 °C(Predicted)
Density: 1.06 · 1.060
storage temp.: Inert atmosphere,Room Temperature
pka: -1.54 · -1.54±0.40(Predicted)
form: solid
color: Off-white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

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.