1-Boc-4-Methylenepiperidine

HCID 2756808CAS 159635-49-1

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Grundinformationen

Standard-SMILES: C=C1CCN(C(=O)OC(C)(C)C)CC1
InChIKey: PDTZMULNKGUIEJ-UHFFFAOYSA-N
Summenformel: C11H19NO2
Durchschnittliche Molmasse: 197,27 g/mol
Monoisotopische Masse: 197,14157885

Namen und Bezeichner

Bevorzugter Name: 1-Boc-4-Methylenepiperidine
IUPAC: tert-butyl 4-methylidenepiperidine-1-carboxylate
Englischer Name: tert-Butyl 4-methylenepiperidine-1-carboxylate
Summenformel: C11H19NO2
Molmasse: 197.27

Namen und Synonyme

1-boc-4-methylenepiperidineRefChem:430100639-305-4159635-49-1tert-butyl 4-methylenepiperidine-1-carboxylate1-N-Boc-4-methylenepiperidinen-boc-4-methylenepiperidinetert-butyl 4-methylidenepiperidine-1-carboxylate1-N-Boc-4-methylene-piperidineMFCD016325221-tert-Butoxycarbonyl-4-methylenepiperidine1-PIPERIDINECARBOXYLIC ACID, 4-METHYLENE-, 1,1-DIMETHYLETHYL ESTER

Weitere Namen anzeigen

4-METHYenepiperidineN-Boc-4-MethyL1-Boc-4-Methylenepip1-Boc-4-methylenepiperidin

4-methylenepiperidine-1-carboxylic acid tert-butyl estertert-butyl 4-methylenepiperidinecarboxylate4-methylene-piperidine-1-carboxylic acid tert-butyl esterboc-4-methylenepiperidine1-Boc-4-methylene piperidineSCHEMBL1372971-Boc-4-(methylene)piperidineSCHEMBL8243744

Datenbank-Bezeichner

CAS: 159635-49-1
PubChem CID: 2756808
DTXSID: DTXSID90373553
EC Number: 639-305-4
Nikkaji: J746.716H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 230

Physikochemische Eigenschaften

Siedepunkt: 80 °C/1mmHg · 80°C/1mmHg(lit.)
Dichte: 1 g/ml · 1g/ml
Brechungsindex: 1.463 to · 1.4630 to 1.4670
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: liquid
pka: -1.41 · -1.41±0.20(Predicted)
Farbe: Clear, colourless
InChI: InChI=1S/C11H19NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h1,5-8H2,2-4H3
InChIKey: PDTZMULNKGUIEJ-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(=C)CC1
CAS Datenbank: 159635 · 159635-49-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 7 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

hs_code: 2933399990
hazard_code: Xi
hazard_note: Irritant

Chemie und Industrie

Anwendungen

Verwendentert-Butyl 4-Methylenepiperidine-1-carboxylate is a useful reagent for the design of anion exchange membranes (AEMs) and ionomers for use in storage devices such as fuel cells and batteries.