1-Cyclopentylpiperazine

HCID 806421CAS 21043-40-3

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Grundinformationen

Standard-SMILES: C1CCC(N2CCNCC2)C1
InChIKey: PVMCQBPJKPMOKM-UHFFFAOYSA-N
Summenformel: C9H18N2
Durchschnittliche Molmasse: 154,25 g/mol
Monoisotopische Masse: 154,14699858

Namen und Bezeichner

Bevorzugter Name: 1-Cyclopentylpiperazine
IUPAC: 1-cyclopentylpiperazine
Englischer Name: 1-Cyclopentylpiperazine
Summenformel: C9H18N2
Molmasse: 154.25

Namen und Synonyme

1-cyclopentylpiperazine21043-40-3DTXSID80355565RefChem:229820DTXCID50306625671-072-41-Cyclopentyl-piperazineMFCD00168029PIPERAZINE, 1-CYCLOPENTYL-n-cyclopentylpiperazine1-cyclopentyl piperazine1-?Cyclopentylpiperazine

Weitere Namen anzeigen

BUTTPARK 82\06-05TIMTEC-BB SBB004031RARECHEM AH CK 0078Piperazine Impurity 61-CyanopentylpiperazinePiperazine,1-cyclopentyl-(Piperazin-1-yl)cyclopentane

1-cyclo-pentyl piperazine1-(cyclopentyl)-piperazinecyclopentylpiperazineAB04250C2466Z2285880684-CyclopentylpiperazinePiperazine, 1-cyclopentyl- (8CI,9CI)

Datenbank-Bezeichner

CAS: 21043-40-3
PubChem CID: 806421
DTXSID: DTXSID80355565
EC Number: 671-072-4
Nikkaji: J1.642.603B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 113

Physikochemische Eigenschaften

Siedepunkt: 48 °C · 48 °C
Dichte: 0.989 · 0.989±0.06 g/cm3(Predicted)
Brechungsindex: 1.5 to · 1.5000 to 1.5040
storage temp.: 2 · 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Sparingly)
Aggregatzustand: Oil to Gel
pka: 9.28 · 9.28±0.10(Predicted)
Farbe: Colourless to Pale Yellow
InChI: InChI=1S/C9H18N2/c1-2-4-9(3-1)11-7-5-10-6-8-11/h9-10H,1-8H2
InChIKey: PVMCQBPJKPMOKM-UHFFFAOYSA-N
SMILES: N1(C2CCCC2)CCNCC1
CAS Datenbank: 21043 · 21043-40-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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, P305+P354+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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

Sicherheitsdaten

hs_code: 2933599590
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden1-Cyclopentylpiperazine is used in the synthesis of quinolines as a new class of imidazole-free H3 receptor antagonists. Also used to prepare a series of estrogen receptor modulators.