1-Boc-3-hydroxypiperidine

HCID 545699CAS 85275-45-2

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Grundinformationen

Standard-SMILES: CC(C)(C)OC(=O)N1CCCC(O)C1
InChIKey: UIJXHKXIOCDSEB-UHFFFAOYSA-N
Summenformel: C10H19NO3
Durchschnittliche Molmasse: 201,26 g/mol
Monoisotopische Masse: 201,13649347

Namen und Bezeichner

Bevorzugter Name: 1-Boc-3-hydroxypiperidine
IUPAC: tert-butyl 3-hydroxypiperidine-1-carboxylate
Englischer Name: 1-Boc-3-hydroxypiperidine
Summenformel: C10H19NO3
Molmasse: 201.26

Namen und Synonyme

1-Boc-3-hydroxypiperidine85275-45-2DTXSID40337963RefChem:430083DTXCID00289050628-428-9tert-butyl 3-hydroxypiperidine-1-carboxylate1-Boc-3-piperidinol1-n-boc-3-hydroxy-piperidineMFCD020939381-tert-Butoxycarbonyl-3-hydroxy piperidinen-boc-3-hydroxypiperidine

Weitere Namen anzeigen

N-BOC-3-PIPERIDINOLRARECHEM EM WB 0260Ibrutinib Impurity 57Ibrutinib Impurity 126BOC-3-HYDROXYPIPERIDINEN-BOC-3-HYDOXYPIPERIDINEN-Boc-3-hydroxypiperidin

N-(tert-Butoxycarbonyl)-3-piperidinol(r)-n-boc-3-hydroxypiperidineboc-(r,s)-3-hydroxypiperidine1-(tert-Butoxycarbonyl)-3-hydroxypiperidine1-Piperidinecarboxylic acid, 3-hydroxy-, 1,1-dimethylethyl esterN-Boc-3-Hydroxy piperidine3-hydroxypiperidine-1-carboxylic acid tert-butyl ester3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester

Datenbank-Bezeichner

CAS: 85275-45-2
PubChem CID: 545699
DTXSID: DTXSID40337963
UNII: VZK3X8HTC8
EC Number: 628-428-9
Nikkaji: J527.164I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 49,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 210

Physikochemische Eigenschaften

Schmelzpunkt: 65 · 65-67°C
Siedepunkt: 292.3 · 292.3±33.0 °C(Predicted)
Dichte: 1.107 · 1.107±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 14.74 · 14.74±0.20(Predicted)
Farbe: White to Almost white
BRN: 4180859 · 4180859
InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h8,12H,4-7H2,1-3H3
InChIKey: UIJXHKXIOCDSEB-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCCC(O)C1
CAS Datenbank: 85275 · 85275-45-2(CAS DataBase Reference)

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 (97.9%): 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)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.