CAS 84746-24-7 1,4-Di(pyrimidin-2-yl)piperazine (HCID 3228611)

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Grundinformationen

CAS: 84746-24-7
Standard-SMILES: c1cnc(N2CCN(c3ncccn3)CC2)nc1
InChIKey: CGDIIYVMINKXRL-UHFFFAOYSA-N
Summenformel: C12H14N6
Durchschnittliche Molmasse: 242,28 g/mol
Monoisotopische Masse: 242,12799447

Namen und Bezeichner

Bevorzugter Name: 1,4-Di(pyrimidin-2-yl)piperazine
IUPAC: 2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine
Englischer Name: 2,2'-(1,4-Piperazinediyl)bis-pyrimidine
Summenformel: C12H14N6
Molmasse: 242.28

Namen und Synonyme

84746-24-71,4-Di(pyrimidin-2-yl)piperazineXZ3J1GA4R4UNII-XZ3J1GA4R4Pyrimidine, 2,2'-(1,4-piperazinediyl)bis-2,2'-(1,4-Piperazinediyl)bis [PYRIMIDINE]BUSPIRONE HYDROCHLORIDE IMPURITY G [EP IMPURITY]2,2'-(1,4-PIPERAZINEDIYL)BIS (PYRIMIDINE)BUSPIRONE HYDROCHLORIDE IMPURITY G (EP IMPURITY)RefChem:1968222-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrimidineBuspirone EP Impurity G

Weitere Namen anzeigen

Buspirone impurity GButhyrolactone impurity1,4-di-pyrimidin-2-yl-piperazineBuspirone USP Related Compound GBuspirone Hydrochloride Impurity G2,2'-(Piperazine-1,4-diyl)dipyrimidBuspirone Hydrochloride EP Impurity G2,2'-(Piperazine-1,4-diyl)dipyrimidine

2,2'-(1,4-Piperazinediyl)bis-pyrimidine2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidineBuspirone Related Compound G2,2'-(1,4-Piperazinediyl)bis[pyrimidine]2,2 inverted exclamation marka-(Piperazine-1,4-diyl)dipyrimidine2,2'-(Piperazine-1,4-diyl)dipyrimidine; Buspirone Hydrochloride Imp. G (EP); Buspirone Related Compound G; Buspirone Hydrochloride Impurity G; Buspirone Impurity GMFCD04208147Buspirone EP Imp G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 58 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 2
Schwere Atome: 18
Formalladung: 0
Komplexität: 215

Physikochemische Eigenschaften

Schmelzpunkt: 273 · 273-274 °C
Siedepunkt: 480.7 · 480.7±55.0 °C(Predicted)
Dichte: 1.276 · 1.276±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly, Heated)
Aggregatzustand: Solid
pka: 5.17 · 5.17±0.33(Predicted)
Farbe: White to Off-White
Major Application: pharmaceutical small molecule
InChI: 1S/C12H14N6/c1-3-13-11(14-4-1)17-7-9-18(10-8-17)12-15-5-2-6-16-12/h1-6H,7-10H2
InChIKey: CGDIIYVMINKXRL-UHFFFAOYSA-N
SMILES: N2(CCN(CC2)c3ncccn3)c1ncccn1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933599550
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden2,2'-(1,4-Piperazinediyl)bis-pyrimidine is an impurity of Buspirone (B689850), an non-benzodiazepine anxiolytic; 5-hydroxytryptamine (5-HT1) receptor agonist.

Anbieter66 Anbieter

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海策嵘生物科技有限公司[email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

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