3-Tert-butyl-1,2-oxazol-5-amine

HCID 2095694CAS 59669-59-9

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Grundinformationen

Standard-SMILES: CC(C)(C)c1cc(N)on1
InChIKey: APHNQOGPYLTSFX-UHFFFAOYSA-N
Summenformel: C7H12N2O
Durchschnittliche Molmasse: 140,18 g/mol
Monoisotopische Masse: 140,09496301

Namen und Bezeichner

Bevorzugter Name: 3-Tert-butyl-1,2-oxazol-5-amine
IUPAC: 3-tert-butyl-1,2-oxazol-5-amine
Englischer Name: 3-TERT-BUTYLISOXAZOL-5-AMINE
Summenformel: C7H12N2O
Molmasse: 140.18

Namen und Synonyme

3-tert-butyl-1,2-oxazol-5-amineRefChem:505333690-447-359669-59-93-tert-Butylisoxazol-5-amine3-(tert-Butyl)isoxazol-5-amine3-tert-Butylisoxazole-5-amine5-AMINO-3-TERT-BUTYLISOXAZOLE3-tert-Butyl-isoxazol-5-ylamineMFCD052666975-Isoxazolamine, 3-(1,1-dimethylethyl)-3-tert-Butylisoxazol-5-ylamine

Weitere Namen anzeigen

5-AMINO-3-T-BUTYL ISOXAZOLE3-tert-Butyl-5-aminoisoxazole5-Amino-3-(tert-butyl)isoxazole3-tert-Butylisoxazol-5-amine ,97%

3-TERT-BUTYL-5-ISOXAZOLAMINE5-amino-3-(t-butyl)isoxazole5-amino-3-tert.-butyl-isoxazoleDTXSID60366513AKOS000116865PS-4070CS-0028753EN300-34185

Datenbank-Bezeichner

CAS: 59669-59-9
PubChem CID: 2095694
DTXSID: DTXSID60366513
ChEMBL: CHEMBL1904213
EC Number: 690-447-3
Nikkaji: J1.393.809A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 52,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 119

Physikochemische Eigenschaften

Siedepunkt: 248.1 · 248.1±28.0 °C(Predicted)
Dichte: 1.042 · 1.042±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: -0.31 · -0.31±0.50(Predicted)
InChI: InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(8)10-9-5/h4H,8H2,1-3H3
InChIKey: APHNQOGPYLTSFX-UHFFFAOYSA-N
SMILES: O1C(N)=CC(C(C)(C)C)=N1
CAS Datenbank: 59669 · 59669-59-9

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): 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.