1-(m-Tolyl)piperazine dihydrochloride

HCID 83110CAS 13078-13-2

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Grundinformationen

Standard-SMILES: Cc1cccc(N2CCNCC2)c1.Cl.Cl
InChIKey: QJNWTYUDISMTMR-UHFFFAOYSA-N
Summenformel: C11H18Cl2N2
Durchschnittliche Molmasse: 249,18 g/mol
Monoisotopische Masse: 248,08470394

Namen und Bezeichner

Bevorzugter Name: 1-(m-Tolyl)piperazine dihydrochloride
IUPAC: 1-(3-methylphenyl)piperazine;dihydrochloride

Namen und Synonyme

13078-13-21-(m-Tolyl)piperazine dihydrochloride1-(m-Tolyl)piperazine HClEINECS 235-974-8DTXSID80156736NSC 71662RefChem:74710DTXCID4079227235-974-8N-(m-Tolyl)piperazine Dihydrochloride1-(3-methylphenyl)piperazine dihydrochloride1-(3-METHYLPHENYL)PIPERAZINE DIHYDROCHLORIDE HYDRATE

Weitere Namen anzeigen

MFCD000352844-(3-methylphenyl)piperazine dihydrochlorideN-(3-METHYLPHENYL)PIPERAZINE DIHYDROCHLORIDENSC-71662(3-methylphenyl)piperazine, chloride, chlorideN4ER3EG3YUSCHEMBL3143991-m-Tolylpiperazine dihydrochloride

Datenbank-Bezeichner

CAS: 13078-13-2
PubChem CID: 83110
DTXSID: DTXSID80156736
UNII: N4ER3EG3YU
EC Number: 235-974-8

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 15
Formalladung: 0
Komplexität: 152

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.