6-(4-((Tert-butoxy)carbonyl)piperazin-1-yl)pyridine-3-carboxylic acid

HCID 2771823

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Grundinformationen

CAS: 201809-22-5
Standard-SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cn2)CC1
InChIKey: PWYGTZUOLAGDNK-UHFFFAOYSA-N
Summenformel: C15H21N3O4
Durchschnittliche Molmasse: 307,34 g/mol
Monoisotopische Masse: 307,15320615

Namen und Bezeichner

Bevorzugter Name: 6-(4-((Tert-butoxy)carbonyl)piperazin-1-yl)pyridine-3-carboxylic acid
IUPAC: 6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
Englischer Name: 4-(5-Carboxy-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
Summenformel: C15H21N3O4
Molmasse: 307.34

Namen und Synonyme

6-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}pyridine-3-carboxylic acid6-(4-((Tert-butoxy)carbonyl)piperazin-1-yl)pyridine-3-carboxylic acidRefChem:539351975-530-7201809-22-56-(4-(tert-Butoxycarbonyl)piperazin-1-yl)nicotinic acidMFCD062455434-(5-Carboxy-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester6-[4-(tert-Butoxycarbonyl)piperazin-1-yl]nicotinic acid6-[4-(tert-Butoxycarbonyl)piperazino]-nicotinic acid6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid6-(4-Boc-1-piperazinyl)nicotinic Acid

Weitere Namen anzeigen

N4-BOC-6-PIPERAZIN-1-YLNICOTINIC ACID6-Piperazin-1-ylnicotinic acid, N4-BOC protected6-(4-Boc-piperazin-1-yl)pyridine-3-carboxylic acid6-[4-(tert-butoxycarbonyl)piperazino]nicotinic acid6-Piperazin-1-ylnicotinic acid, N4-BOC protected 97%6-[4-(PIPERAZIN-1-YL)]NICOTINIC ACID, N4-BOC PROTECTED

Boc-piperazine-pyridine-COOHSCHEMBL634841-Piperazinecarboxylic acid, 4-(5-carboxy-2-pyridinyl)-, 1-(1,1-dimethylethyl) esterCC-08081-(1,1-Dimethylethyl) 4-(5-carboxy-2-pyridinyl)-1-piperazinecarboxylate2-(4-BOC-Piperazino)pyridine-5-carboxylic acid6-(4-Boc-1-piperazinyl)pyridine-3-carboxylic acid6-(4-(tert-Butoxycarbonyl)piperazin-1-yl)nicotinic acid 95%

Datenbank-Bezeichner

CAS: 201809-22-5
PubChem CID: 2771823
DTXSID: DTXSID60378111
EC Number: 975-530-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 83 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 4
Schwere Atome: 22
Formalladung: 0
Komplexität: 414

Physikochemische Eigenschaften

Schmelzpunkt: 298 °C · 298 °C
Siedepunkt: 497.4 · 497.4±45.0 °C(Predicted)
Dichte: 1.25 · 1.250±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 3.12 · 3.12±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.