HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 75994Erstellt: 27. Oktober 2026
1-Benzylpiperazin
BENZYLPIPERAZINE · N-BENZYLPIPERAZINE · N-Benzyl · N-(PHENYLMETHYL)PIPERAZINE · N-Benylpiperazine · 1-Benzylpiperazine · 4-BENZYLPIPERAZINE · TIMTEC-BB SBB007534
https://huagongshe.com/de/chemical/75994
Identifikatoren & physikalische Daten
| CAS No. | 2759-28-6 |
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| Summenformel | C11H16N2 |
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| Durchschnittliche Molmasse | 176,26 g/mol |
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| Monoisotopische Masse | 176,13134851 g/mol |
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| SMILES | c1ccc(CN2CCNCC2)cc1 |
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| InChIKey | IQXXEPZFOOTTBA-UHFFFAOYSA-N |
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| PubChem CID | 75994 |
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| ChEMBL | CHEMBL113600 |
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| ChEBI | CHEBI:83537 |
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| EC No. | 220-423-6 |
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| DTXSID | DTXSID0022197 |
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| Lokaler Name | 1-Benzylpiperazin |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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| Polarare Oberfläche (TPSA) | 15,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 135 |
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| Arzneimittel | DEA NFLIS-Drug Category -> Piperazines (Stimulant)DEA Schedule I Controlled Substance -> StimulantsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds |
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| Human Drugs | Pharmaceuticals |
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| Collision Cross Section | 138.8 Ų [M+H]+ [CCS Type: DTMethod: single field calibrated] |
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| Schmelzpunkt | 17-20 °C |
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| Siedepunkt | 143-146/12mm |
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| Dichte | 1.014 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.547(lit.) |
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| Flammpunkt | >230 °F |
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| pKa (Säurekonstante) | 9.25±0.10(Predicted) |
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| InChI | 1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2 |
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| InChIKey | IQXXEPZFOOTTBA-UHFFFAOYSA-N |
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| SMILES | C1CN(CCN1)Cc2ccccc2 |
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| CAS Datenbank | 2759-28-6(CAS DataBase Reference) |
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| NIST chemische Informationen | 1-Benzylpiperazine(2759-28-6) |
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| EPA chemische Informationen | Piperazine, 1-(phenylmethyl)- (2759-28-6) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | DEA schedule I controlled substanceStatus: Active Update: 24-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18709Piperazine, 1-(phenylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Skin Corr. 1B (100%) |
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| F | 9 |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 3267 8/PG 2 |
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| Zollcode | 29335995 |
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| R-Sätze (R) | 34 |
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| Gefahrensymbole | C,Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 26-36/37/39-45 |
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| Gefahrenklasse | 8Aquatic Chronic 3Eye Dam. 1Skin Corr. 1B |
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| Verpackungsgruppe | III |
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| Lagerklasse | 8A - Combustible corrosive hazardous materials |
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