4-Methylpiperazine-1-carbonyl chloride monohydrochloride

HCID 3016934CAS 55112-42-0

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Grundinformationen

Standard-SMILES: CN1CCN(C(=O)Cl)CC1.Cl
InChIKey: WICNYNXYKZNNSN-UHFFFAOYSA-N
Summenformel: C6H12Cl2N2O
Durchschnittliche Molmasse: 199,08 g/mol
Monoisotopische Masse: 198,03266836

Namen und Bezeichner

Bevorzugter Name: 4-Methylpiperazine-1-carbonyl chloride monohydrochloride
IUPAC: 4-methylpiperazine-1-carbonyl chloride;hydrochloride

Namen und Synonyme

55112-42-04-Methylpiperazine-1-carbonyl chloride monohydrochlorideEINECS 259-482-8DTXSID802036331-Piperazinecarbonyl chloride, 4-methyl-, hydrochloride (1:1)RefChem:525681DTXCID10126124259-482-84-Methyl-1-piperazinecarbonyl chloride hydrochloride4-methylpiperazine-1-carbonyl chloride hydrochlorideMFCD010748754-Methyl-1-piperazinecarbonyl chloride HCl

Weitere Namen anzeigen

4-methylpiperazine-1-carbonyl chloride;hydrochloride1-Piperazinecarbonyl chloride, 4-methyl-, monohydrochloride1-chlorocarbonyl-4-methylpiperazine hydrochloride7T2R5ALS8T4-Methyl-1-piperazinecarbonylChlorideHydrochlorideSCHEMBL321914GEO-01914AKOS015897706

Datenbank-Bezeichner

CAS: 55112-42-0
PubChem CID: 3016934
DTXSID: DTXSID80203633
UNII: 7T2R5ALS8T
EC Number: 259-482-8

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 23,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 132

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (62.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 167 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.