N-4-Boc-N-1-Cbz-2-piperazine carboxylic acid

HCID 2756777

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Grundinformationen

CAS: 126937-41-5
Standard-SMILES: CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C(C(=O)O)C1
InChIKey: MKXMXZZARNRMMQ-UHFFFAOYSA-N
Summenformel: C18H24N2O6
Durchschnittliche Molmasse: 364,4 g/mol
Monoisotopische Masse: 364,16343649

Namen und Bezeichner

Bevorzugter Name: N-4-Boc-N-1-Cbz-2-piperazine carboxylic acid
IUPAC: 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid
Englischer Name: N-4-BOC-N-1-CBZ-2-PIPERAZINE CARBOXYLIC ACID
Summenformel: C18H24N2O6
Molmasse: 364.39

Namen und Synonyme

126937-41-5N-4-Boc-N-1-Cbz-2-piperazine carboxylic acid4-Boc-1-Cbz-2-piperazinecarboxylic acid1-((Benzyloxy)carbonyl)-4-(tert-butoxycarbonyl)piperazine-2-carboxylic acid4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acidMFCD016311921-[(benzyloxy)carbonyl]-4-(tert-butoxycarbonyl)piperazine-2-carboxylic acid1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)piperazine-2-carboxylic acid1-benzyloxycarbonyl-4-tert-butoxycarbonyl-piperazine-2-carboxylic acidBOC-4-CBZ-2-PIPERAZINE CARBOXYLIC ACID( inverted exclamation markA)-1-Benzyloxycarbonyl-4-Boc-piperazine-2-carboxylic acid(R)-4-tert-Butoxycarbonyl-1-(benzyloxycarbonyl)piperazine-2-carboxylic acid

Weitere Namen anzeigen

SA051100piperazine-1,2,4-tricarboxylic acid4-Boc-1-Cbz-2-Piperazine carboxylic acid4-BOC-1-CBZ-PIPERAZINE-2-CARBOXYLIC ACID1-Cbz-4-Boc-piperazine-2-carboxylic Acid4-N-BOC-1-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACIDBenzyloxycarbonyl-4-Boc-piperazine-2-carboxylicacid1-((Benzyloxy)carbonyl)-4-bocpiperazine-2-carboxylic acid(±)-1-Benzyloxycarbonyl-4-Boc-piperazine-2-carboxylic acid

1,2,4-Piperazinetricarboxylic acid, 4-(1,1-dimethylethyl) 1-(phenylmethyl) estern-1-boc-n-4-cbz-2-piperazinecarboxylic acid t-butyl esterMKXMXZZARNRMMQ-UHFFFAOYSA-NSCHEMBL375852DTXSID00373529AKOS015841574AB19897AB32483

Datenbank-Bezeichner

CAS: 126937-41-5
PubChem CID: 2756777
DTXSID: DTXSID00373529
EC Number: 672-407-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 96,4 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 6
Schwere Atome: 26
Formalladung: 0
Komplexität: 524

Physikochemische Eigenschaften

Schmelzpunkt: 150 · 150-152°C
Siedepunkt: 518.9 · 518.9±50.0 °C(Predicted)
Dichte: 1.272 · 1.272
storage temp.: Store at room temperature
pka: 3.68 · 3.68±0.20(Predicted)
CAS Datenbank: 126937 · 126937-41-5

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