tert-Butyl 4-(5-iodopyridin-2-yl)piperazine-1-carboxylate

HCID 7164639

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Grundinformationen

CAS: 497915-42-1
Standard-SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(I)cn2)CC1
InChIKey: RJHWOWJRQNENIC-UHFFFAOYSA-N
Summenformel: C14H20IN3O2
Durchschnittliche Molmasse: 389,23 g/mol
Monoisotopische Masse: 389,06002488

Namen und Bezeichner

Bevorzugter Name: tert-Butyl 4-(5-iodopyridin-2-yl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-(5-iodo-2-pyridinyl)piperazine-1-carboxylate
Englischer Name: tert-Butyl 4-(5-iodopyrid-2-yl)piperazine-1-carboxylate
Summenformel: C14H20IN3O2
Molmasse: 389.23

Namen und Synonyme

497915-42-1Tert-butyl 4-(5-iodopyridin-2-yl)piperazine-1-carboxylateDTXSID70428212RefChem:383522DTXCID003790461-Boc-4-(5-iodopyridin-2-yl)piperazine1-Boc-4-(5-Iodo-2-Pyridyl)Piperazinetert-Butyl 4-(5-iodopyrid-2-yl)piperazine-1-carboxylateMFCD07781193SCHEMBL1432329SCHEMBL29751127RJHWOWJRQNENIC-UHFFFAOYSA-N

Weitere Namen anzeigen

4-(5-IODOPYRID-2-YL)PIPERAZINE, 1-BOC PROTECTED4-(5-Iodopyridin-2-yl)piperazine,N1-BOCprotected97%4-(5-Iodopyridin-2-yl)piperazine, N1-BOC protected 97%4-(5-iodo-2-pyridinyl)-1-piperazinecarboxylic acid tert-butyl ester4-(5-Iodo-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester1-Piperazinecarboxylic acid, 4-(5-iodo-2-pyridinyl)-, 1,1-dimethylethyl ester

4-(5-Iodopyridin-2-yl)piperazine-1-carboxylic acid tert-butyl esterAKOS015911300AS-40636DB-030338CS-01347111-Boc-4-(5-iodo-2-pyridyl)piperazine, AldrichCPR4-(5-Iodopyridin-2-yl)piperazine, N1-BOC protectedtert-butyl 4-(5-iodo-2-pyridyl)piperazine-1-carboxylate

Datenbank-Bezeichner

CAS: 497915-42-1
PubChem CID: 7164639
DTXSID: DTXSID70428212
EC Number: 676-454-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 45,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 20
Formalladung: 0
Komplexität: 338

Physikochemische Eigenschaften

Schmelzpunkt: 102 °C · 102 °C
Siedepunkt: 457.5 · 457.5±45.0 °C(Predicted)
Dichte: 1.524 · 1.524±0.06 g/cm3(Predicted)
pka: 6.4 · 6.40±0.29(Predicted)

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.