3,4-Dihydro-7-(4-methyl-1H-imidazol-1-yl)pyrido[2,1-c][1,4]oxazine-1,6-dione

HCID 68380174

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Grundinformationen

CAS: 1402004-16-3
Standard-SMILES: Cc1cn(-c2ccc3n(c2=O)CCOC3=O)cn1
InChIKey: OHSVUZLFGBAXDD-UHFFFAOYSA-N
Summenformel: C12H11N3O3
Durchschnittliche Molmasse: 245,23 g/mol
Monoisotopische Masse: 245,08004122

Namen und Bezeichner

Bevorzugter Name: 3,4-Dihydro-7-(4-methyl-1H-imidazol-1-yl)pyrido[2,1-c][1,4]oxazine-1,6-dione
IUPAC: 7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine-1,6-dione
Englischer Name: 7-(4-methyl-1H-imidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine-1,6-dione
Summenformel: C12H11N3O3
Molmasse: 245.23

Namen und Synonyme

1402004-16-33,4-Dihydro-7-(4-methyl-1H-imidazol-1-yl)pyrido(2,1-c)(1,4)oxazine-1,6-dione3,4-Dihydro-7-(4-methyl-1H-imidazol-1-yl)pyrido[2,1-c][1,4]oxazine-1,6-dioneRefChem:486199822-524-67-(4-Methyl-1H-imidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine-1,6-dione7-(4-Methyl-imidazol-1-yl)-3,4-dihydro-pyrido[2,1-c][1,4]oxazine-1,6-dionePyrido[2,1-c][1,4]oxazine-1,6-dione, 3,4-dihydro-7-(4-methyl-1H-imidazol-1-yl)-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[2,1-c][1,4]oxazine-1,6-dioneSCHEMBL12804512OHSVUZLFGBAXDD-UHFFFAOYSA-NDB-197343

Weitere Namen anzeigen

EOS-60779

H61421

Datenbank-Bezeichner

CAS: 1402004-16-3
PubChem CID: 68380174
EC Number: 822-524-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 64,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 18
Formalladung: 0
Komplexität: 469

Physikochemische Eigenschaften

Siedepunkt: 623.2 · 623.2±65.0 °C(Predicted)
Dichte: 1.47 · 1.47±0.1 g/cm3(Predicted)
pka: 5.5 · 5.50±0.61(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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.