1-(3-Chlorpropyl)-4-methylpiperazin

1-(3-Chloropropyl)-4-methylpiperazine

HCID 66906

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Grundinformationen

CAS: 104-16-5
Standard-SMILES: CN1CCN(CCCCl)CC1
InChIKey: AUERUDPETOKUPT-UHFFFAOYSA-N
Summenformel: C8H17ClN2
Durchschnittliche Molmasse: 176,69 g/mol
Monoisotopische Masse: 176,10802622

Namen und Bezeichner

Bevorzugter Name: 1-(3-Chloropropyl)-4-methylpiperazine
IUPAC: 1-(3-chloropropyl)-4-methylpiperazine
Lokaler Name: 1-(3-Chlorpropyl)-4-methylpiperazin
Englischer Name: 1-Methyl-4-(3-chloropropyl)piperazine
Summenformel: C8H17ClN2
Molmasse: 176.69

Namen und Synonyme

1-(3-Chloropropyl)-4-methylpiperazinePiperazine, 1-(3-chloropropyl)-4-methyl-N-Methylpiperazinopropyl chlorideBRN 0106074EINECS 203-181-6DTXSID901462045-23-01-00141 (Beilstein Handbook Reference)RefChem:224352DTXCID1068695203-181-6104-16-5MFCD00067335

Weitere Namen anzeigen

1-(3-chloropropyl)-4-methyl-piperazinN-(3-Chloropropyl)-N'-methylpiperazine1-(3-Chloroprop-1-yl)-4-methylpiperazine1-(3-chloro-propyl)-4-methyl-piperazine(Dihydrochlorideform)

1-methyl-4-(3-chloropropyl)piperazine3-(4-methylpiperazino)propyl chloride1-(3-Chloro-propyl)-4-methyl-piperazine1-Chloro-3-(4-methyl-1-piperazinyl)propane1-(3-chloropropyl)-4-methyl-piperazineHM8PR2X8WUSCHEMBL1672311-(3-Chloro-propyl)-4-methyl

Datenbank-Bezeichner

CAS: 104-16-5
PubChem CID: 66906
DTXSID: DTXSID90146204
UNII: HM8PR2X8WU
EC Number: 203-181-6
Nikkaji: J182.178D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 6,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 100

Physikochemische Eigenschaften

Schmelzpunkt: 128 · 128-130 °C(Solv: acetone (67-64-1))
Siedepunkt: 243 · 243 ºC
Dichte: 1.015 · 1.015
Brechungsindex: 1.476 · 1.476
Flammpunkt: 101 · 101 ºC
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
pka: 7 · 7+-.0.10(Predicted)
InChI: InChI=1S/C8H17ClN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-8H2,1H3
InChIKey: AUERUDPETOKUPT-UHFFFAOYSA-N
SMILES: N1(CCCCl)CCN(C)CC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23577

Hazard Classes and CategoriesAcute Tox. 3 (50%)

Sicherheitsdaten

hs_code: 2933599590

Chemie und Industrie

Anwendungen

Verwenden1-Methyl-4-(3-chloropropyl)piperazine can be used in the preparation of many pharmaceutically active compounds such as antiulcer agents, antitumor agents, antibiotics and anxiolytics.