4-Methyloxazol-5-carboxamid

4-Methyloxazole-5-carboxamide

HCID 78581CAS 4866-00-6

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Grundinformationen

Standard-SMILES: Cc1ncoc1C(N)=O
InChIKey: HBKBZJZRIWAICY-UHFFFAOYSA-N
Summenformel: C5H6N2O2
Durchschnittliche Molmasse: 126,11 g/mol
Monoisotopische Masse: 126,04292743

Namen und Bezeichner

Bevorzugter Name: 4-Methyloxazole-5-carboxamide
IUPAC: 4-methyl-1,3-oxazole-5-carboxamide
Lokaler Name: 4-Methyloxazol-5-carboxamid
Englischer Name: 4-Methyl-oxazole-5-carboxylic acid amide
Summenformel: C5H6N2O2
Molmasse: 126.11

Namen und Synonyme

4-Methyloxazole-5-carboxamide4866-00-6EINECS 225-472-75-Carbamoyl-4-methyloxazoleDTXSID30197573EC 225-472-7RefChem:525631DTXCID90120064225-472-74-Methyl-1,3-oxazole-5-carboxamide5-Oxazolecarboxamide,4-methyl-4-Methyl-oxazole-5-carboxylic acid amide

Weitere Namen anzeigen

4-Methyl-5-oxazolecarboxamide

MFCD004648215-Oxazolecarboxamide, 4-methyl-SCHEMBL2139234Oxazole-5-carboxamide, 4-methyl-AKOS0049068184-methyloxazole-5-carboxylic acid amide4-Methyl-1,3-oxazole-5-carboxamide #DB-427683

Datenbank-Bezeichner

CAS: 4866-00-6
PubChem CID: 78581
DTXSID: DTXSID30197573
EC Number: 225-472-7
Nikkaji: J262.502D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 69,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 126

Physikochemische Eigenschaften

Schmelzpunkt: 197 · 197-198 °C
Siedepunkt: 260.1 · 260.1±28.0 °C(Predicted)
Dichte: 1 · 1+-.0.06 g/cm3(Predicted)
pka: 14.51 · 14.51±0.50(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.