2-(Piperazin-1-yl)pyridine-5-boronic acid, pinacol ester

HCID 16217946

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Grundinformationen

CAS: 871125-86-9
Standard-SMILES: CC1(C)OB(c2ccc(N3CCNCC3)nc2)OC1(C)C
InChIKey: MEHCIETYEUUYGC-UHFFFAOYSA-N
Summenformel: C15H24BN3O2
Durchschnittliche Molmasse: 289,18 g/mol
Monoisotopische Masse: 289,19615741

Namen und Bezeichner

Bevorzugter Name: 2-(Piperazin-1-yl)pyridine-5-boronic acid, pinacol ester
IUPAC: 1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
Englischer Name: 1-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZINE
Summenformel: C15H24BN3O2
Molmasse: 289.18

Namen und Synonyme

2-(Piperazin-1-yl)pyridine-5-boronic acid, pinacol esterRefChem:461833624-836-6871125-86-91-(5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine6-(1-Piperazinyl)pyridine-3-boronic acid pinacol esterMFCD067956772-PIPERAZINOPYRIDINE-5-BORONIC ACID, PINACOL ESTERAKOS015950096GS-6176(6-(PIPERAZIN-1-YL)PYRIDIN-3-YL)BORONIC ACID PINACOL ESTER

Weitere Namen anzeigen

2-piperazinyl pyridine-5-boronic acidPinacol 2-piperazino-5-pyridylboronate6-PIPERAZINYLPYRIDINE-3-BORONIC ACID, PINACOL ESTER2-(1-Piperazino)pyridine-5-boronic acid pinacol ester2-(Piperazin-yl)pyridine-5-boronic acid pinacol ester6-PIPERAZIN-1-YL-PYRIDINE-3-BORONIC ACID, PINACOL ESTER6-(1-Piperazinyl)pyridine-3-boronic acid pinacol ester 97%

6-(1-Piperazinyl)pyridine-3-boronic acid pinacol ester, 97%2-(Piperazin-1-yl)pyridine-5-boronic acid pinacol ester1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazineA841960SCHEMBL700265DTXSID20584675MEHCIETYEUUYGC-UHFFFAOYSA-N1-[5-(4,4,5,5-tetra-met

Datenbank-Bezeichner

CAS: 871125-86-9
PubChem CID: 16217946
DTXSID: DTXSID20584675
EC Number: 624-836-6
Nikkaji: J2.975.541H

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 46,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 21
Formalladung: 0
Komplexität: 356

Physikochemische Eigenschaften

Schmelzpunkt: 137 · 137-142 °C
Siedepunkt: 450.8 · 450.8±40.0 °C(Predicted)
Dichte: 1.11 · 1.11±0.1 g/cm3(Predicted)
storage temp.: Store at Room Tem.
Aggregatzustand: Powder
pka: 8.65 · 8.65±0.10(Predicted)
Farbe: White to off-white
InChI: InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-5-6-13(18-11-12)19-9-7-17-8-10-19/h5-6,11,17H,7-10H2,1-4H3
InChIKey: MEHCIETYEUUYGC-UHFFFAOYSA-N
SMILES: N1(C2=NC=C(B3OC(C)(C)C(C)(C)O3)C=C2)CCNCC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.