1-Cyclohexylpiperazin

1-Cyclohexylpiperazine

HCID 87298CAS 17766-28-8

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Grundinformationen

Standard-SMILES: C1CCC(N2CCNCC2)CC1
InChIKey: XPDSXKIDJNKIQY-UHFFFAOYSA-N
Summenformel: C10H20N2
Durchschnittliche Molmasse: 168,28 g/mol
Monoisotopische Masse: 168,16264864

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 1-Cyclohexylpiperazine
IUPAC: 1-cyclohexylpiperazine
Lokaler Name: 1-Cyclohexylpiperazin
Englischer Name: 1-Cyclohexylpiperazine
Summenformel: C10H20N2
Molmasse: 168.28

Namen und Synonyme

1-Cyclohexylpiperazine17766-28-82U3UBJ45HDDTXSID40170357RefChem:75504DTXCID3092848241-750-01-Cyclohexyl-piperazinePiperazine, 1-cyclohexyl-N-cyclohexylpiperazineMFCD000448094-cyclohexylpiperazine

Weitere Namen anzeigen

AKOS BBS-00003612BUTTPARK 82\06-06TIMTEC-BB SBB003875Avatopal impurity 471-CyclohexylpiperizineAvatrombopag Impurity 9Avatroposide impurities15

Oprea1_3219281-cyclohexyl piperazine4-(1-cyclohexyl)piperazineSCHEMBL43171CHEMBL574182n-cyclohexylpiperazine;1-cyclohexylpiperazine2-Amino-3-chloro-5-trifluoropyridineCS-W020172

Datenbank-Bezeichner

CAS: 17766-28-8
PubChem CID: 87298
DTXSID: DTXSID40170357
ChEMBL: CHEMBL574182
UNII: 2U3UBJ45HD
EC Number: 241-750-0
Nikkaji: J287.149A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 124

Physikochemische Eigenschaften

Schmelzpunkt: 28 · 28-32 °C
Siedepunkt: 287.25 °C · 287.25°C (rough estimate)
Dichte: 0.9725 · 0.9725 (rough estimate)
Brechungsindex: 1.6011 · 1.6011
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Low Melting Solid
pka: 9.25 · 9.25±0.10(Predicted)
Farbe: Yellow-brownish
BRN: 106845 · 106845
InChI: InChI=1S/C10H20N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h10-11H,1-9H2
InChIKey: XPDSXKIDJNKIQY-UHFFFAOYSA-N
SMILES: N1(C2CCCCC2)CCNCC1
CAS Datenbank: 17766 · 17766-28-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (95.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.