CAS 733748-92-0 4-(3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl)piperidine (HCID 24208845)

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Grundinformationen

CAS: 733748-92-0
Standard-SMILES: CC(C)c1noc(C2CCNCC2)n1
InChIKey: QDRJZNBKSMAEIE-UHFFFAOYSA-N
Summenformel: C10H17N3O
Durchschnittliche Molmasse: 195,26 g/mol
Monoisotopische Masse: 195,13716217

Namen und Bezeichner

Bevorzugter Name: 4-(3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl)piperidine
IUPAC: 5-piperidin-4-yl-3-propan-2-yl-1,2,4-oxadiazole
Englischer Name: 4-(3-ISOPROPYL-1,2,4-OXADIAZOL-5-YL)PIPERIDINE
Summenformel: C10H17N3O
Molmasse: 195.26

Namen und Synonyme

733748-92-0DTXSID606399114-(3-(Propan-2-yl)-1,2,4-oxadiazol-5-yl)piperidine4-[3-(PROPAN-2-YL)-1,2,4-OXADIAZOL-5-YL]PIPERIDINERefChem:1069880DTXCID905906624-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidineMFCD080610383-isopropyl-5-(piperidin-4-yl)-1,2,4-oxadiazole5-piperidin-4-yl-3-propan-2-yl-1,2,4-oxadiazole4-(3-Isopropyl-[1,2,4]oxadiazol-5-yl)-piperidinepiperidine, 4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-

Weitere Namen anzeigen

5-(4-piperidinyl)-3-propan-2-yl-1,2,4-oxadiazole4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidine(SALTDATA: HCl)

3-isopropyl-5-(4-piperidyl)-1,2,4-oxadiazoleSCHEMBL16739334-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]piperidine5-(Piperidin-4-Yl)-3-(Propan-2-Yl)-1,2,4-OxadiazoleQDRJZNBKSMAEIE-UHFFFAOYSA-NAKOS005257783AB43213AC-25471

Datenbank-Bezeichner

CAS: 733748-92-0
PubChem CID: 24208845

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 51 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 180

Physikochemische Eigenschaften

Siedepunkt: 316.9 · 316.9±52.0 °C(Predicted)
Dichte: 1.049 · 1.049±0.06 g/cm3(Predicted)
Brechungsindex: 1.486 · 1.4860
storage temp.: 2 · 2-8°C
Aggregatzustand: solid
pka: 9.58 · 9.58±0.10(Predicted)
InChI: 1S/C10H17N3O/c1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8/h7-8,11H,3-6H2,1-2H3
InChIKey: QDRJZNBKSMAEIE-UHFFFAOYSA-N
SMILES: N1CCC(CC1)c2nc(n[o]2)C(C)C
CAS Datenbank: 733748 · 733748-92-0

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 5 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. 3 (20%)

Sicherheitsdaten

wgk: 3
risk_code: 25
hazard_code: Xi,T
safety_code: 45
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral