Tert-butyl 7-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

HCID 10562576

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Grundinformationen

CAS: 188576-49-0
Standard-SMILES: CC(C)(C)OC(=O)N1CCc2ccc(O)cc2C1
InChIKey: SVWCQVGJRNYYBX-UHFFFAOYSA-N
Summenformel: C14H19NO3
Durchschnittliche Molmasse: 249,3 g/mol
Monoisotopische Masse: 249,13649347

Namen und Bezeichner

Bevorzugter Name: Tert-butyl 7-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
IUPAC: tert-butyl 7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
Englischer Name: tert-Butyl 7-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
Summenformel: C14H19NO3
Molmasse: 249.31

Namen und Synonyme

tert-butyl 7-hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylateRefChem:894510817-083-1188576-49-0TERT-BUTYL 7-HYDROXY-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATETert-butyl 7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylateMFCD082750362(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-7-hydroxy-, 1,1-dimethylethyl ester7-Hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl estertert-Butyl7-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylate7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-2-carboxylic acid tert-butyl esterSCHEMBL545619

Weitere Namen anzeigen

N-Boc-7-hydroxy-1,2,3,4-tetrahydroisoquinoline2-Boc-7-hydroxy-1,2,3,4-tetrahydroisoquinolinetert-butyl 7-hydroxy-3,4-dihydroisoquinoline-2(1H)-carboxylat

SCHEMBL6560995SCHEMBL29372093DTXSID70441805SVWCQVGJRNYYBX-UHFFFAOYSA-NNHA57649AKOS010581774AB445922-Boc-7-hydroxy-3,4-dihydroisoquinoline

Datenbank-Bezeichner

CAS: 188576-49-0
PubChem CID: 10562576
DTXSID: DTXSID70441805
EC Number: 817-083-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 49,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 18
Formalladung: 0
Komplexität: 311

Physikochemische Eigenschaften

Schmelzpunkt: 140 · 140-142.5 °C
Siedepunkt: 391.4 · 391.4±42.0 °C(Predicted)
Dichte: 1.17 · 1.170±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 10.22 · 10.22±0.20(Predicted)

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 (100%): 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 2 reports by companies from 1 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.