CAS 310454-53-6 Benzyl ethyl piperidine-1,3-dicarboxylate (HCID 17999271)

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Grundinformationen

CAS: 310454-53-6
Standard-SMILES: CCOC(=O)C1CCCN(C(=O)OCc2ccccc2)C1
InChIKey: NJRONXOELMBCSE-UHFFFAOYSA-N
Summenformel: C16H21NO4
Durchschnittliche Molmasse: 291,34 g/mol
Monoisotopische Masse: 291,14705815

Namen und Bezeichner

Bevorzugter Name: Benzyl ethyl piperidine-1,3-dicarboxylate
IUPAC: 1-O-benzyl 3-O-ethyl piperidine-1,3-dicarboxylate
Englischer Name: Ethyl N-Cbz-piperidine-3-carboxylate
Summenformel: C16H21NO4
Molmasse: 291.34

Namen und Synonyme

BENZYL ETHYL PIPERIDINE-1,3-DICARBOXYLATERefChem:566752694-920-5310454-53-61-Benzyl 3-ethyl piperidine-1,3-dicarboxylateMFCD066577521,3-Piperidinedicarboxylic acid, 3-ethyl 1-(phenylmethyl) ester1-O-benzyl 3-O-ethyl piperidine-1,3-dicarboxylate1-Benzyl 3-ethyl piperidine-13-dicarboxylateEthyl N-Cbz-piperidine-3-carboxylateEthyl-N-CBZ-piperidine-3-carboxylate1-Cbz-piperidine-3-carboxylic acid ethyl ester

Weitere Namen anzeigen

N-Cbz-PIPERIDINE-3-carboxylateCBZ-PIPERIDINE-3-CARBOXYLIC ACID ETHYL ESTERBenzyl ethyl piperidine-1,3-dicarboxylate 97%(3S)-piperidine-1,3-dicarboxylic acid O3-ethyl ester O1-(phenylmethyl) ester

O1-benzyl O3-ethyl piperidine-1,3-dicarboxylateSCHEMBL1468838DTXSID30592327N-Cbz-nipecotic acid ethyl esterNJRONXOELMBCSE-UHFFFAOYSA-NSBB068628AKOS008932800AB39344

Datenbank-Bezeichner

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 55,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 6
Schwere Atome: 21
Formalladung: 0
Komplexität: 352

Physikochemische Eigenschaften

Siedepunkt: 403.7 · 403.7±45.0 °C(Predicted)
Dichte: 1.165 · 1.165±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -2.45 · -2.45±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.