5-Ethyl-1,3,4-oxadiazol-2-amine

HCID 343487

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Grundinformationen

CAS: 3775-61-9
Standard-SMILES: CCc1nnc(N)o1
InChIKey: XHSTYRIUVMKGDX-UHFFFAOYSA-N
Summenformel: C4H7N3O
Durchschnittliche Molmasse: 113,12 g/mol
Monoisotopische Masse: 113,05891186

Namen und Bezeichner

Bevorzugter Name: 5-Ethyl-1,3,4-oxadiazol-2-amine
IUPAC: 5-ethyl-1,3,4-oxadiazol-2-amine
Englischer Name: 5-Ethyl-1,3,4-oxadiazol-2-ylamine
Summenformel: C4H7N3O
Molmasse: 113.12

Namen und Synonyme

3775-61-95-ethyl-1,3,4-oxadiazol-2-amineDTXSID50321893RefChem:102533DTXCID20273012671-495-45-ETHYL-1,3,4-OXADIAZOL-2-YLAMINE2-Amino-5-ethyl-1,3,4-oxadiazol2-amino-5-ethyl-1,3,4-oxadiazole5-Ethyl-1,3,4-oxadiazole-2-amineMFCD026718901,3,4-Oxadiazol-2-amine,5-ethyl-

Weitere Namen anzeigen

F2182-0121NSC 3829421,3,4-Oxadiazol-2-amine, 5-ethyl-5-ethyl-1,3,4-oxadiazole-2-ylamineNSC3829425-Ethyl-[1,3,4]oxadiazol-2-ylamineSCHEMBL368774CHEMBL4520233

Datenbank-Bezeichner

CAS: 3775-61-9
PubChem CID: 343487
DTXSID: DTXSID50321893
ChEMBL: CHEMBL4520233
EC Number: 671-495-4
Nikkaji: J1.582.521I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 64,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 77

Physikochemische Eigenschaften

Schmelzpunkt: 180 · 180-181 °C
Siedepunkt: 235.3 · 235.3±23.0 °C(Predicted)
Dichte: 1.206 · 1.206±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: -0.4 · -0.40±0.13(Predicted)
InChI: InChI=1S/C4H7N3O/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
InChIKey: XHSTYRIUVMKGDX-UHFFFAOYSA-N
SMILES: O1C(CC)=NN=C1N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

Sicherheitsdaten

risk_code: 22
hazard_code: Xn

Chemie und Industrie

Anwendungen

Verwenden5-Ethyl-1,3,4-oxadiazol-2-amine is used as a reactant in the preparation of (acylimino)thiadiazoline derivatives as angiotensin II receptor antagonists.