tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate

HCID 23396319

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Grundinformationen

CAS: 392331-66-7
Standard-SMILES: CC(C)(C)OC(=O)N1CCC(O)(CN)CC1
InChIKey: XYWCDAFPRBDRER-UHFFFAOYSA-N
Summenformel: C11H22N2O3
Durchschnittliche Molmasse: 230,3 g/mol
Monoisotopische Masse: 230,16304256

Namen und Bezeichner

Bevorzugter Name: tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
IUPAC: tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
Englischer Name: tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate
Summenformel: C11H22N2O3
Molmasse: 230.3

Namen und Synonyme

392331-66-7tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylateDTXSID50633589RefChem:383528DTXCID10584341810-622-11-Boc-4-(Aminomethyl)-4-hydroxypiperidineTERT-BUTYL 4-(AMINOMETHYL)-4-HYDROXYTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE1-Boc-4-aminomethyl-4-hydroxypiperidineMFCD115798034-(AMINOMETHYL)-1-BOC-4-HYDROXYPIPERIDINE4-AMINOMETHYL-1-BOC-PIPERIDIN-4-OL

Weitere Namen anzeigen

4-Aminomethyl-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester1-Boc-4-(Aminomethyl)1-Boc-4-aMinoMethyl-4-hyd...4-Aminomethyl-1-Boc-4-hydroxypiperidine,97%4-AMinoMethyl-1-Boc-4-hydroxypiperidine, 97%tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate 95%1-Piperidinecarboxylic acid, 4-(aminomethyl)-4-hydroxy-, 1,1-dimethylethyl ester

tert-butyl 4-(aminomethyl)-4-hydroxy-piperidine-1-carboxylateSCHEMBL154164GC-0732SY027674A1-000331-Boc-4-(aminomethyl)-4-hydroxy-piperidineAM20100034XYWCDAFPRBDRER-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 392331-66-7
PubChem CID: 23396319
DTXSID: DTXSID50633589
EC Number: 810-622-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 75,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 252

Physikochemische Eigenschaften

Siedepunkt: 341 · 341.0±27.0 °C(Predicted)
Dichte: 1.124 · 1.124
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 12.48 · 12.48±0.20(Predicted)
Aggregatzustand: Solid
Farbe: Off-white
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)13-6-4-11(15,8-12)5-7-13/h15H,4-8,12H2,1-3H3
InChIKey: XYWCDAFPRBDRER-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(CN)(O)CC1
CAS Datenbank: 392331 · 392331-66-7

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