Benzyl 4-Hydroxy-1-piperidinecarboxylate

HCID 2794620CAS 95798-23-5

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C(OCc1ccccc1)N1CCC(O)CC1
InChIKey: JKIUUDJOCYHIGY-UHFFFAOYSA-N
Summenformel: C13H17NO3
Durchschnittliche Molmasse: 235,28 g/mol
Monoisotopische Masse: 235,1208434

Namen und Bezeichner

Bevorzugter Name: Benzyl 4-Hydroxy-1-piperidinecarboxylate
IUPAC: benzyl 4-hydroxypiperidine-1-carboxylate
Englischer Name: Benzyl 4-hydroxy-1-piperidinecarboxylate
Summenformel: C13H17NO3
Molmasse: 235.28

Namen und Synonyme

Benzyl 4-hydroxy-1-piperidinecarboxylate1-Piperidinecarboxylic acid, 4-hydroxy-, phenylmethyl esterRefChem:566688628-802-195798-23-5benzyl 4-hydroxypiperidine-1-carboxylate1-CBZ-4-HYDROXYPIPERIDINEC13H17NO3MFCD01863722N-benzyloxycarbonyl-4-hydroxypiperidineBENZYL 4-HYDROXYTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATEN-Cbz-4-hydroxy-1-piperidine

Weitere Namen anzeigen

BUTTPARK 93\50-531-CBZ-4-hydroxypethidineN-CBZ-4-HYDROXYPIPERIDINE1-Carbobenzoxy-4-hydroxypiperidine1-(Benzyloxycarbonyl)-4-piperidinol

(phenylmethyl) 4-oxidanylpiperidine-1-carboxylatephenylmethyl 4-hydroxypiperidinecarboxylate1-(Benzyloxycarbonyl)-4-hydroxypiperidine; 1-(Benzyloxycarbonyl)-4-piperidinol;B0G1-Cbz-4-piperidinol4-hydroxy-N-CBZ-piperidineSCHEMBL776391-Carbobenzoxy-4-piperidinol

Datenbank-Bezeichner

CAS: 95798-23-5
PubChem CID: 2794620
DTXSID: DTXSID60383265
EC Number: 628-802-1
Nikkaji: J1.018.975F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 49,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 17
Formalladung: 0
Komplexität: 243

Physikochemische Eigenschaften

Siedepunkt: 167 °C/0.2 · 167 °C/0.2 mmHg (lit.)
Dichte: 1.554 g/mL · 1.554 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.543(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: Oil
pka: 14.79 · 14.79±0.20(Predicted)
Farbe: Orange
InChI: InChI=1S/C13H17NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
InChIKey: JKIUUDJOCYHIGY-UHFFFAOYSA-N
SMILES: N1(C(OCC2=CC=CC=C2)=O)CCC(O)CC1
CAS Datenbank: 95798 · 95798-23-5(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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenReactant for synthesis of: Orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation Piperidine derivatives Molecular rods Oxazolidinone-quinolone hybrids and their antibacterial activity Cyclic prodrug of RGD peptidomimeticReactant for oxidation of alcohols