4-[(Tert-butoxy)carbonyl]piperazine-2-carboxylic acid

HCID 5175855

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Grundinformationen

CAS: 128019-59-0
Standard-SMILES: CC(C)(C)OC(=O)N1CCNC(C(=O)O)C1
InChIKey: YRYAXQJXMBETAT-UHFFFAOYSA-N
Summenformel: C10H18N2O4
Durchschnittliche Molmasse: 230,26 g/mol
Monoisotopische Masse: 230,12665706

Namen und Bezeichner

Bevorzugter Name: 4-[(Tert-butoxy)carbonyl]piperazine-2-carboxylic acid
IUPAC: 4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
Englischer Name: N-4-Boc-2-piperazinecarboxylic acid
Summenformel: C10H18N2O4
Molmasse: 230.26

Namen und Synonyme

4-[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid4-((tert-butoxy)carbonyl)piperazine-2-carboxylic acidRefChem:509960626-374-0128019-59-04-(tert-butoxycarbonyl)piperazine-2-carboxylic acid4-Boc-piperazine-2-carboxylic acidN-4-Boc-2-piperazinecarboxylic acid4-N-Boc-piperazine-2-carboxylic acid1-Boc-piperazine-3-carboxylic acidMFCD010762184-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic Acid

Weitere Namen anzeigen

(R)-4-(TERT-BUTOXYCARBONYL)PIPERAZINE-2-CARBOXYLIC ACID4-BOC-(4-N-BOC)PIPERAZINE(2R) COOH4-BOCpiperazin-2-carboxylic acid4-Boc-2-piperazinecarboxylic acid4-N-Boc-2-piperazinecarboxylic acidN4-Boc-piperazine-2-carboxylic acid(R)-4-Boc-piperazine-2-carboxylid acid

piperazine-1,3-dicarboxylic acid 1-tert-butyl esterDTXSID50409180AC-2201PB122694-(tert.butoxycarbonyl)-2-piperazinecarboxylic acidpiperazine-1,3-dicarboxylic acid-1-tert-butyl ester4-[(tert-butyl)oxycarbonyl]piperazine-2-carboxylic acid4-Boc Piperazine-2-Carboxylic acid

Datenbank-Bezeichner

CAS: 128019-59-0
PubChem CID: 5175855
DTXSID: DTXSID50409180
EC Number: 626-374-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -2,2
Polarare Oberfläche (TPSA): 78,9 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 16
Formalladung: 0
Komplexität: 285

Physikochemische Eigenschaften

Schmelzpunkt: 231 · 231-239 °C
Siedepunkt: 371.8 · 371.8±37.0 °C(Predicted)
Dichte: 1.193 · 1.193±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 2.2 · 2.20±0.20(Predicted)
Aggregatzustand: powder or crystals
Wasserlöslichkeit: Slightly soluble in water.
InChI: 1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-4-11-7(6-12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)
InChIKey: YRYAXQJXMBETAT-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)N1CCNC(C1)C(O)=O
CAS Datenbank: 128019 · 128019-59-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (12.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.