1-Benzyl 4-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate

Methyl 4-Boc-1-Cbz-2-piperazinecarboxylate · METHYL N-4-BOC-N-1-CBZ-2-PIPERAZINECARBOXYLATE · METHYL 4-N-BOC-1-N-CBZ-2-PIPERAZINE CARBOXYLATE · 4-N-BOC-1-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER · Methyl (±)-1-benzyloxycarbonyl-4-Boc-piperazine-2-carboxylate · O1-benzyl O4-tert-butyl O2-methyl piperazine-1,2,4-tricarboxylate · 1-(Benzyloxycarbonyl)-2-(methoxycarbonyl)-4-(tert-butoxycarbonyl)-piperazine · Methyl 1-(benzyloxycarbonyl)-4-(tert-butyloxycarbonyl)piperazine-2-carboxylate

https://huagongshe.com/de/chemical/4451965

Molekülstruktur von 1-Benzyl 4-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate

Identifikatoren & physikalische Daten

CAS No.	126937-42-6
Summenformel	C19H26N2O6
Durchschnittliche Molmasse	378,4 g/mol
Monoisotopische Masse	378,17908655 g/mol
SMILES	COC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1
InChIKey	FUMOVDZJNXKHJM-UHFFFAOYSA-N
PubChem CID	4451965
EC No.	681-205-8
DTXSID	DTXSID40403430

Chemische & physikalische Eigenschaften

XLogP	2,2
Polarare Oberfläche (TPSA)	85,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	7
Schwere Atome	27
Formalladung	0
Komplexität	539
Siedepunkt	476.9±45.0 °C(Predicted)
Dichte	1.214±0.06 g/cm3(Predicted)
Lagerbedingungen	Sealed in dry,Room Temperature
pKa (Säurekonstante)	-1.49±0.70(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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.
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315