1-(Tetrahydro-2-furoyl)piperazine

HCID 2734641CAS 63074-07-7

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C(C1CCCO1)N1CCNCC1
InChIKey: UKESBLFBQANJHH-UHFFFAOYSA-N
Summenformel: C9H16N2O2
Durchschnittliche Molmasse: 184,24 g/mol
Monoisotopische Masse: 184,12117775

Überblick

1-(Tetrahydro-2-furoyl)piperazine is a member of phytanoyl-CoAs.

Namen und Bezeichner

Bevorzugter Name: 1-(Tetrahydro-2-furoyl)piperazine
IUPAC: oxolan-2-yl(piperazin-1-yl)methanone
Englischer Name: 1-(Tetrahydro-2-furoyl)piperazine
Summenformel: C9H16N2O2
Molmasse: 184.24

Namen und Synonyme

1-(Tetrahydro-2-furoyl)piperazineRefChem:428724613-137-163074-07-71-(2-tetrahydrofuroyl)piperazinepiperazin-1-yl(tetrahydrofuran-2-yl)methanone1-(2-Tetrahydrofuroyl)-piperazineoxolan-2-yl(piperazin-1-yl)methanone1-(oxolane-2-carbonyl)piperazineMFCD00190247Terazosin EP Impurity N1-(tetrahydrofuran-2-ylcarbonyl)piperazine

Weitere Namen anzeigen

TIMTEC-BB SBB005794RARECHEM AH CK 0199Terazosin Impurity 2Terazosin Impurity18Tetrahydro piperazineTETRAHYDROFUROYL PIPERAZINEN-(2-Terahydro-furoyl)piperazine

N-(Tetrahydro-2-furoyl)piperazine1-(tetrahydro-2-furoyl)-piperazinen-(2-tetrahydrofuroyl)piperazinepiperazin-1-yl-(tetrahydro-furan-2-yl)-methanoneMETHANONE, 1-PIPERAZINYL(TETRAHYDRO-2-FURANYL)-4-((Tetrahydrofuran-2-yl)carbonyl)piperazineD9EO38Y0851-(((2RS)-Tetrahydrofuran-2-yl)carbonyl)piperazine

Datenbank-Bezeichner

CAS: 63074-07-7
PubChem CID: 2734641
DTXSID: DTXSID00866966
ChEBI: CHEBI:188788
UNII: D9EO38Y085
EC Number: 613-137-1
Nikkaji: J829.713D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,5
Polarare Oberfläche (TPSA): 41,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 190

Physikochemische Eigenschaften

Siedepunkt: 140 °C · 140 °C (1.5002 mmHg)
Dichte: 1.17 · 1.17
Brechungsindex: 1.5195 · 1.5195-1.5215
Flammpunkt: 120 · 120-125°C/0.2mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
Aggregatzustand: Viscous Liquid
pka: 8.37 · 8.37±0.10(Predicted)
Farbe: Colorless to yellow
Wasserlöslichkeit: Fully miscible in water.
BRN: 880578 · 880578
InChI: 1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2
InChIKey: UKESBLFBQANJHH-UHFFFAOYSA-N
SMILES: O=C(C1CCCO1)N2CCNCC2
CAS Datenbank: 63074 · 63074-07-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 45.2% (42 of 93) of reports.

Warning

H319 (50.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 93 reports by companies from 8 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesEye Irrit. 2A (50.5%)

Sicherheitsdaten

wgk: 3
hs_code: 29349990
risk_code: 36/37/38-36
hazard_code: Xi
hazard_note: Irritant
safety_code: 37/39-26-37
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2

Chemie und Industrie

Anwendungen

Verwenden1-(Tetrahydro-2-furoyl)-piperazine (Terazosin EP Impurity N) has been used as a reactant for the preparation of pyrazol-3-propanoic acid derivatives as inhibitors of leukotriene biosynthesis in human neutrophils.