Benzyl 4-cyanopiperidine-1-carboxylate

HCID 22028286CAS 161609-84-3

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Grundinformationen

Standard-SMILES: N#CC1CCN(C(=O)OCc2ccccc2)CC1
InChIKey: UGKXZMBTBFELAS-UHFFFAOYSA-N
Summenformel: C14H16N2O2
Durchschnittliche Molmasse: 244,29 g/mol
Monoisotopische Masse: 244,12117775

Namen und Bezeichner

Bevorzugter Name: Benzyl 4-cyanopiperidine-1-carboxylate
IUPAC: benzyl 4-cyanopiperidine-1-carboxylate
Englischer Name: 1-N-Cbz-4-cyanopiperidine
Summenformel: C14H16N2O2
Molmasse: 244.29

Namen und Synonyme

161609-84-3BENZYL 4-CYANOPIPERIDINE-1-CARBOXYLATEDTXSID90936566RefChem:566684DTXCID901365171675-955-51-n-cbz-4-cyanopiperidine1-cbz-4-cyanopiperidine1-N-Cbz-4-cyano-piperidine1-piperidinecarboxylic acid, 4-cyano-, phenylmethyl esterMFCD041153404-cyano-piperidine-1-carboxylic acid benzyl ester

Weitere Namen anzeigen

BUTTPARK 93\50-50N-CBZ-4-cyanopiperidine1-N-Cbz-4-cycano-piperidine4-Cyanopiperidine, N-CBZ protected

1-Z-4-CYANOPIPERIDINESCHEMBL1290635UGKXZMBTBFELAS-UHFFFAOYSA-N1-n-cbz-piperidine-4-carbonitrile1-benzyloxycarbonyl-4-cyanopiperidineSBB066874AKOS015836785benzyl-4-cyanopiperidine-1-carboxylate

Datenbank-Bezeichner

CAS: 161609-84-3
PubChem CID: 22028286
DTXSID: DTXSID90936566
EC Number: 675-955-5
Nikkaji: J2.724.073I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 53,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 18
Formalladung: 0
Komplexität: 320

Physikochemische Eigenschaften

Siedepunkt: 416.5 · 416.5±45.0 °C(Predicted)
Dichte: 1.18 · 1.18±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -3.13 · -3.13±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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

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