4-methoxy-2,5-dihydro-1H-pyrrol-2-one

HCID 574769CAS 69778-83-2

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Grundinformationen

Standard-SMILES: COC1=CC(=O)NC1
InChIKey: TXKQBYYDTLOLHA-UHFFFAOYSA-N
Summenformel: C5H7NO2
Durchschnittliche Molmasse: 113,11 g/mol
Monoisotopische Masse: 113,04767847

Namen und Bezeichner

Bevorzugter Name: 4-methoxy-2,5-dihydro-1H-pyrrol-2-one
IUPAC: 3-methoxy-1,2-dihydropyrrol-5-one
Englischer Name: 4-METHOXY-3-PYRROLIN-2-ONE
Summenformel: C5H7NO2
Molmasse: 113.11

Namen und Synonyme

4-METHOXY-2,5-DIHYDRO-1H-PYRROL-2-ONERefChem:524514624-640-069778-83-24-Methoxy-3-pyrrolin-2-one4-Methoxy-1H-pyrrol-2(5H)-one4-Methoxy-1,5-dihydro-2H-pyrrol-2-one3-methoxy-1,2-dihydropyrrol-5-oneMFCD000715642H-Pyrrol-2-one, 1,5-dihydro-4-methoxy-1,5-Dihydro-4-methoxy-2H-pyrrol-2-one1-Cyclohexylpiperazine; 4-Cyclohexylpiperazine; N-Cyclohexylpiperazine

Weitere Namen anzeigen

4-Methoxy-3-pyrolin-2-one4-Methoxy-3-pyrrolin-2-one,99%4-METHOXY-3-PYRROLIN-2-ONE 99%4-METHOXY-1,5-DIHYDROPYRROL-2-ONE1,5-DIHYDRO-4-METHOXY-2H-PYRROL-2-ON1H-2-Pyrrolone, 4-methoxy-2,5-dihydro

SCHEMBL145648SCHEMBL993549CHEMBL2147272DTXSID10341673GEO-01727AKOS000813752AB02829CS-W005299

Datenbank-Bezeichner

CAS: 69778-83-2
PubChem CID: 574769
DTXSID: DTXSID10341673
ChEMBL: CHEMBL2147272
EC Number: 624-640-0
Nikkaji: J461.221C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,7
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 139

Physikochemische Eigenschaften

Schmelzpunkt: 129 · 129-132 °C(lit.)
Siedepunkt: 349.6 · 349.6±42.0 °C(Predicted)
Dichte: 1.16 · 1.16±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 13.13 · 13.13±0.40(Predicted)
BRN: 1524505 · 1524505
CAS Datenbank: 69778 · 69778-83-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.