HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Benzhydrylpiperazin
Diphenylmethylpiperazine · 1-(DIPHENYLMETHYL)PIPERAZINE · NSC 35536 · norcyclizine · AKOS NCG1-0108 · AKOS BBS-00003601 · TIMTEC-BB SBB003136 · BENZHYDRYLPIPERAZINE
Identifikatoren & physikalische Daten
| CAS No. | 841-77-0 |
|---|---|
| Summenformel | C17H20N2 |
| Durchschnittliche Molmasse | 252,35 g/mol |
| Monoisotopische Masse | 252,16264865 g/mol |
| SMILES | c1ccc(C(c2ccccc2)N2CCNCC2)cc1 |
| InChIKey | NWVNXDKZIQLBNM-UHFFFAOYSA-N |
| PubChem CID | 70048 |
| ChEMBL | CHEMBL1490469 |
| EC No. | 212-667-7 |
| DTXSID | DTXSID80232968 |
| Lokaler Name | 1-Benzhydrylpiperazin |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 15,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 230 |
| Löslichkeit | 25 [ug/mL] (The mean of the results at pH 7.4)Methanol (Slightly)0.45 g/L (20 ºC) |
| Kovats Retention Index | 2219 |
| Schmelzpunkt | 90-93 °C |
| Siedepunkt | 185°C/2mmHg(lit.) |
| Dichte | 1.0546 (rough estimate) |
| Dampfdruck | 0.001Pa at 20℃ |
| Brechungsindex | 1.5794 (estimate) |
| Flammpunkt | 115 °C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 9.05±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to light yellow |
| BRN | 222773 |
| InChI | 1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2 |
| InChIKey | NWVNXDKZIQLBNM-UHFFFAOYSA-N |
| SMILES | C1CN(CCN1)C(c2ccccc2)c3ccccc3 |
| LogP (Verteilungskoeffizient) | 0.6 at 20℃ |
| CAS Datenbank | 841-77-0(CAS DataBase Reference) |
| NIST chemische Informationen | Benzhydryl piperazine(841-77-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.WarningH302 (92.3%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (13.5%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (13.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (11.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]H335 (11.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 52 reports by companies.There are 9 notifications provided by 51 of 52 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 12-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24243 |
| Hazard Classes and Categories | Acute Tox. 4 (92.3%)Skin Irrit. 2 (13.5%)Eye Irrit. 2A (13.5%)Acute Tox. 4 (11.5%)STOT SE 3 (11.5%) |
| F | 34 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| RTECS-Nr. | TL6465000 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 22-24/25 |
| Gefahrenklasse | IRRITANTAcute Tox. 3 OralAquatic Chronic 2Eye Dam. 1Repr. 2Skin Sens. 1ASTOT RE 1STOT SE 1 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
1-Benzhydrylpiperazine is an intermediate used in drug synthesis