CAS 19754-80-4 5-Ethyl-1,2-oxazol-3-amine (HCID 5094381)

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 19754-80-4
Standard-SMILES: CCc1cc(N)no1
InChIKey: INRPZCXQEPGTQB-UHFFFAOYSA-N
Summenformel: C5H8N2O
Durchschnittliche Molmasse: 112,13 g/mol
Monoisotopische Masse: 112,06366288

Namen und Bezeichner

Bevorzugter Name: 5-Ethyl-1,2-oxazol-3-amine
IUPAC: 5-ethyl-1,2-oxazol-3-amine
Englischer Name: (5-Ethylisoxazol-3-yl)amine
Summenformel: C5H8N2O
Molmasse: 112.13

Namen und Synonyme

5-ethyl-1,2-oxazol-3-amine19754-80-4DTXSID00408249RefChem:302885DTXCID00359101832-269-25-ethylisoxazol-3-amine3-Isoxazolamine, 5-ethyl-MFCD009557013-amino-5-ethylisoxazole5-ethyl-3-aminoisoxazole(5-Ethylisoxazol-3-yl)amine

Weitere Namen anzeigen

SCHEMBL1979609INRPZCXQEPGTQB-UHFFFAOYSA-NAKOS011971646DS-8231SY190829DB-317638CS-0152523EN300-82185

Datenbank-Bezeichner

CAS: 19754-80-4
PubChem CID: 5094381
DTXSID: DTXSID00408249
EC Number: 832-269-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 52,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 76

Physikochemische Eigenschaften

Schmelzpunkt: 71 · 71-72℃
Siedepunkt: 243.8 · 243.8±20.0 °C(Predicted)
Dichte: 1.115 · 1.115±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 2.41 · 2.41±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.；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.