N,5-Dimethyl-3-phenyl-4-isoxazolecarboxamide

HCID 4104650

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Grundinformationen

CAS: 60986-88-1
Standard-SMILES: CNC(=O)c1c(-c2ccccc2)noc1C
InChIKey: DCKOQOHEZADEJX-UHFFFAOYSA-N
Summenformel: C12H12N2O2
Durchschnittliche Molmasse: 216,24 g/mol
Monoisotopische Masse: 216,08987762

Namen und Bezeichner

Bevorzugter Name: N,5-Dimethyl-3-phenyl-4-isoxazolecarboxamide
IUPAC: N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
Englischer Name: N,5-DIMETHYL-3-PHENYLISOXAZOLE-4-CARBOXAMIDE)
Summenformel: C12H12N2O2
Molmasse: 216.24

Namen und Synonyme

60986-88-1N,5-DIMETHYL-3-PHENYL-4-ISOXAZOLECARBOXAMIDEN,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamiden,5-dimethyl-3-phenylisoxazole-4-carboxamideN,5-dimethyl-3-phenyl-isoxazole-4-carboxamide5-methyl-3-phenyl-isoxazole-4-carboxylic acid methylamideSCHEMBL352886DTXSID00399365DCKOQOHEZADEJX-UHFFFAOYSA-NAKOS001222746DB-3352003-phenyl-5,N-dimethyl-isoxazole-4-carboxamide

Weitere Namen anzeigen

N,5-DIMETHYL-3-PHENYLISOXAZOLE-4-CARBOXAMIDE)4-Isoxazolecarboxamide, N,5-dimethyl-3-phenyl-

3-phenyl-N,5-dimethyl-isoxazole-4-carboxamide3-phenyl-N,5-dimethyl- isoxazole-4-carboxamideN,5 -dimethyl-3-phenyl-isoxazole-4-carboxamideZ30270981InChI=1/C12H12N2O2/c1-8-10(12(15)13-2)11(14-16-8)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,15

Datenbank-Bezeichner

CAS: 60986-88-1
PubChem CID: 4104650
DTXSID: DTXSID00399365
EC Number: 688-814-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 55,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 251

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.