Benzyl 4-isocyanatopiperidine-1-carboxylate

HCID 2776273CAS 220394-91-2

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Grundinformationen

Standard-SMILES: O=C=NC1CCN(C(=O)OCc2ccccc2)CC1
InChIKey: JBQXPARAPVCGFW-UHFFFAOYSA-N
Summenformel: C14H16N2O3
Durchschnittliche Molmasse: 260,29 g/mol
Monoisotopische Masse: 260,11609237

Namen und Bezeichner

Bevorzugter Name: Benzyl 4-isocyanatopiperidine-1-carboxylate
IUPAC: benzyl 4-isocyanatopiperidine-1-carboxylate
Englischer Name: BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
Summenformel: C14H16N2O3
Molmasse: 260.29

Namen und Synonyme

benzyl 4-isocyanatopiperidine-1-carboxylateDTXSID80379943RefChem:566690DTXCID90330969220394-91-2BENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE1-Cbz-4-isocyanatopiperidineMFCD026819881-Piperidinecarboxylicacid, 4-isocyanato-, phenylmethyl esterBENZYL4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATEphenylmethyl 4-isocyanatopiperidinecarboxylateSCHEMBL2444559

Weitere Namen anzeigen

BUTTPARK 75\50-494-isocyanato-2-piperidinecarboxylic acid (phenylmethyl) esterBENZYL 4-ISOCYANATOTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE ISO 9001：2015 REACH

JBQXPARAPVCGFW-UHFFFAOYSA-N1-Piperidinecarboxylic acid, 4-isocyanato-, phenylmethyl esterSBB054896AKOS023413348AB91771benzyl-4-isocyanatopiperidinecarboxylate4-Isocyanatopiperidine, N-CBZ protectedBS-24987

Datenbank-Bezeichner

CAS: 220394-91-2
PubChem CID: 2776273
DTXSID: DTXSID80379943
EC Number: 641-318-5
Nikkaji: J1.580.382G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 59 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 19
Formalladung: 0
Komplexität: 339

Physikochemische Eigenschaften

Siedepunkt: 185 °C · 185 °C
Dichte: 1.196 · 1.196±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
storage temp.: 0 · Store at 0-8 °C
pka: 0.49 · 0.490±0.40(predicted)
CAS Datenbank: 220394 · 220394-91-2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P233, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.