HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 88747Erstellt: 26. Oktober 2026
2-(Piperazin-1-yl)pyrimidin
1-(2-PYRIMIDYL)PIPERAZINE · 1-pp · 1-(2-PYRIMIDINYL)PIPERAZINE · n-(2-pyrimidinyl)piperazine · PMPRZ · mj13653 · GOSO-003 · BUSPIRON?A
https://huagongshe.com/de/chemical/88747
Identifikatoren & physikalische Daten
| CAS No. | 125523-53-7 |
|---|
| Summenformel | C8H12N4 |
|---|
| Durchschnittliche Molmasse | 164,21 g/mol |
|---|
| Monoisotopische Masse | 164,10619638 g/mol |
|---|
| SMILES | c1cnc(N2CCNCC2)nc1 |
|---|
| InChIKey | MRBFGEHILMYPTF-UHFFFAOYSA-N |
|---|
| PubChem CID | 88747 |
|---|
| ChEMBL | CHEMBL724 |
|---|
| ChEBI | CHEBI:166562 |
|---|
| EC No. | 244-135-5 |
|---|
| DTXSID | DTXSID00864967 |
|---|
| Lokaler Name | 2-(Piperazin-1-yl)pyrimidin |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|
| Polarare Oberfläche (TPSA) | 41,1 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 12 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 127 |
|---|
| LogP (Verteilungskoeffizient) | 0.49 |
|---|
| Dissociation Constants | 8.9 |
|---|
| Schmelzpunkt | 32-34°C |
|---|
| Siedepunkt | 277 °C (lit.) |
|---|
| Dichte | 1.158 g/mL at 25 °C (lit.) |
|---|
| Brechungsindex | n20/D 1.587(lit.) |
|---|
| Flammpunkt | >230 °F |
|---|
| Lagerbedingungen | 2-8°C |
|---|
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)almost transparency |
|---|
| Aggregatzustand | Liquid After Melting |
|---|
| pKa (Säurekonstante) | 8.68±0.10(Predicted) |
|---|
| Farbe | Clear yellow |
|---|
| BRN | 151178 |
|---|
| InChI | 1S/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2 |
|---|
| InChIKey | MRBFGEHILMYPTF-UHFFFAOYSA-N |
|---|
| SMILES | C1CN(CCN1)c2ncccn2 |
|---|
| CAS Datenbank | 20980-22-7(CAS DataBase Reference) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (31.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 67 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Regulatorische Informationen | Status: Active Update: 20-10-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/18266 |
|---|
| Hazard Classes and Categories | Skin Corr. 1B (31.3%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| TSCA-Inventar-Status | Yes |
|---|
| Zollcode | 29335990 |
|---|
| RTECS-Nr. | UV9702000 |
|---|
| R-Sätze (R) | 36/37/38 |
|---|
| Gefahrensymbole | Xi |
|---|
| Sicherheitshinweise (S) | 26-36-24/25 |
|---|
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
|---|
| Lagerklasse | 10 - Combustible liquids |
|---|
