Tert-butyl 4-(4-iodophenyl)piperazine-1-carboxylate

HCID 2795511

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Grundinformationen

CAS: 151978-66-4
Standard-SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(I)cc2)CC1
InChIKey: ZOWJTZMYSLZILG-UHFFFAOYSA-N
Summenformel: C15H21IN2O2
Durchschnittliche Molmasse: 388,24 g/mol
Monoisotopische Masse: 388,06478

Namen und Bezeichner

Bevorzugter Name: Tert-butyl 4-(4-iodophenyl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-(4-iodophenyl)piperazine-1-carboxylate
Englischer Name: tert-Butyl 4-(4-iodophenyl)tetrahydro-1(2H)-pyrazinecarboxylate
Summenformel: C15H21IN2O2
Molmasse: 388.24

Namen und Synonyme

151978-66-4tert-butyl 4-(4-iodophenyl)piperazine-1-carboxylateDTXSID70383731RefChem:383510DTXCID40334755882-818-51-BOC-4-(4-IODOPHENYL)PIPERAZINETERT-BUTYL 4-(4-IODOPHENYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATEMFCD062008641-Piperazinecarboxylicacid, 4-(4-iodophenyl)-, 1,1-dimethylethyl esterC15H21IN2O24-(4-IODO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Weitere Namen anzeigen

4-(4-Iodophenyl)piperazine, N1-BOC protected4-(4-Iodophenyl)piperazine,N1-BOCprotected97%1-TERT-BUTOXYCARBONYL-4(4-IODOPHENYL)PIPERAZINE4-(4-Iodophenyl)piperazine, N1-BOC protected 97%1-tert-Butoxycarbonyl-4-(4-iodophenyl)piperazine 97%4-(4-iodophenyl)-2-piperazinecarboxylic acid tert-butyl ester

tert-Butyl 4-(4-iodophenyl)-piperazine-1-carboxylate4-(4-Iodophenyl)piperazine-1-carboxylic acid tert-butyl esterCS-02060551-Piperazinecarboxylic acid, 4-(4-iodophenyl)-, 1,1-dimethylethyl esterSCHEMBL942257ZOWJTZMYSLZILG-UHFFFAOYSA-N4-(4-iodophenyl)-piperazine-1-carboxylic acid tert-butyl esterAKOS015912309

Datenbank-Bezeichner

CAS: 151978-66-4
PubChem CID: 2795511
DTXSID: DTXSID70383731
EC Number: 882-818-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 32,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 20
Formalladung: 0
Komplexität: 327

Physikochemische Eigenschaften

Schmelzpunkt: 150 °C · 150 °C
Siedepunkt: 439.5 · 439.5±40.0 °C(Predicted)
Dichte: 1.481 · 1.481±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 2.93 · 2.93±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 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.