1-(2-Furoyl)piperazin

1-(2-Furoyl)piperazine

HCID 550206CAS 40172-95-0

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Grundinformationen

Standard-SMILES: O=C(c1ccco1)N1CCNCC1
InChIKey: SADPINFEWFPMEA-UHFFFAOYSA-N
Summenformel: C9H12N2O2
Durchschnittliche Molmasse: 180,2 g/mol
Monoisotopische Masse: 180,08987762

Namen und Bezeichner

Bevorzugter Name: 1-(2-Furoyl)piperazine
IUPAC: furan-2-yl(piperazin-1-yl)methanone
Lokaler Name: 1-(2-Furoyl)piperazin
Englischer Name: 1-(2-Furoyl)piperazine
Summenformel: C9H12N2O2
Molmasse: 180.2

Namen und Synonyme

1-(2-Furoyl)piperazine40172-95-0n-(2-furoyl)piperazine8AUX72LL1PDTXSID70577351-(Furan-2-ylcarbonyl)piperazine(furan-2-yl)(piperazin-1-yl)methanoneEINECS 254-823-7DTXCID8031524N-(FURAN-2-OYL)PIPERAZINE1-PENTANONMETHANONE, 2-FURANYL-1-PIPERAZINYL-PRAZOSIN HYDROCHLORIDE IMPURITY D [EP IMPURITY]

Weitere Namen anzeigen

AKOS BB/0087AKOS B003992AKOS BBS-00003689BIO-FARMA BF003584TIMTEC-BB SBB003747RARECHEM AH CK 0108N-Furoyl piperazine2-furoic piperazideTerazosin Impurity102-(2-FUROYL)PIPERAZINE

TERAZOSIN HYDROCHLORIDE DIHYDRATE IMPURITY L [EP IMPURITY]PRAZOSIN HYDROCHLORIDE IMPURITY D (EP IMPURITY)TERAZOSIN HYDROCHLORIDE DIHYDRATE IMPURITY L (EP IMPURITY)RefChem:422146254-823-7furan-2-yl(piperazin-1-yl)methanone1-(furan-2-carbonyl)piperazineMFCD00038831

Datenbank-Bezeichner

CAS: 40172-95-0
PubChem CID: 550206
DTXSID: DTXSID7057735
ChEMBL: CHEMBL3560648
UNII: 8AUX72LL1P
EC Number: 254-823-7
Nikkaji: J332.377C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 45,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 190

Physikochemische Eigenschaften

Schmelzpunkt: 67 · 67-70 °C(lit.)
Siedepunkt: 137 · 137-140°C 0,1mm
Dichte: 1.1819 · 1.1819 (rough estimate)
Brechungsindex: 1.5373 · 1.5373 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
Löslichkeit: Chloroform, Methanol (Slightly)
pka: 8.37 · 8.37±0.10(Predicted)
Farbe: White to Pale Yellow
BRN: 880196 · 880196
Stabilität: Very Hygroscopic
InChI: 1S/C9H12N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h1-2,7,10H,3-6H2
InChIKey: SADPINFEWFPMEA-UHFFFAOYSA-N
SMILES: O=C(N1CCNCC1)c2ccco2
CAS Datenbank: 40172 · 40172-95-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (98.9%): 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 91 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 19-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26142

Hazard Classes and CategoriesSkin Irrit. 2 (98.9%)

Sicherheitsdaten

F: 10-34
wgk: 3
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-(2-Furoyl)piperazine may be used to synthesize: 2-[4-(2-furoyl) piperazin-1-yl]-4-amino-6-benzyloxy-7-methoxyquinazoline hydrochloride monohydrate2-[4-(2-furoyl)piperazin-1-yl]-4-amino-7-benzyloxy-6-methoxyquinazoline hydrochloride monohydrate4-amino-2-[4-(2-furoyl)piperazin-1-yl]-quinazoline hydrochloride6,7-dimethoxy-2-[4-(2-furoyl)-piperazin-1-yl]quinazoline-4-one hydrate1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-furoyl)-piperazine hydrogen oxalate1-(3,4-dichlorobenzyl)-4-(2-furoyl)-piperazine hydrogen oxalate4-(9-fluorenyl)-1-(2-furoyl)piperazine2-[4-(2-furoyl)piperazin-1-yl]-benzimidazole hydrochloride hydrate