3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde

HCID 21873737

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Grundinformationen

CAS: 443956-11-4
Standard-SMILES: O=Cc1ccc2c(n1)NC(=O)CO2
InChIKey: XOXXGNIBXYQQNS-UHFFFAOYSA-N
Summenformel: C8H6N2O3
Durchschnittliche Molmasse: 178,14 g/mol

Namen und Bezeichner

Bevorzugter Name: 3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
IUPAC: 3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
Englischer Name: 3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
Summenformel: C8H6N2O3
Molmasse: 178.14

Namen und Synonyme

443956-11-43-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehydeMFCD155267453-Oxo-3,4-dihydro-2H-pyrido-[3,2-b][1,4]oxazine-6-carbaldehyde2H-Pyrido[3,2-b]-1,4-oxazine-6-carboxaldehyde, 3,4-dihydro-3-oxo-3-oxo-4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde3-oxo-3,4-dihydro-2H-pyrido(3,2-b)(1,4)oxazine-6-carbaldehydeSCHEMBL620088XOXXGNIBXYQQNS-UHFFFAOYSA-N3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde3,4-dihydro-3-oxo-2H-Pyrido[3,2-b]-1,4-oxazine-6-carboxaldehydeAKOS022177748

Weitere Namen anzeigen

SY238056CS-0131388G63643F6081563-oxo-3,4-dihydro-2H-pyrido[1,4]oxazine-6-carboxaldehyde3-Oxo-3,4-dihydro-2H -pyrido[3,2-b ][1,4]oxazine-6-carbaldehyde3-oxo-3,4-dihydro-2h pyrido[3,2,b][1,4]oxazine-6-carbaldehyde3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carb aldehyde

Datenbank-Bezeichner

CAS: 443956-11-4
PubChem CID: 21873737
EC Number: 810-324-1
Nikkaji: J2.877.112F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 68,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 231

Physikochemische Eigenschaften

Schmelzpunkt: 208 · 208-211 °C
Siedepunkt: 425.5 · 425.5±45.0 °C(Predicted)
Dichte: 1.428 · 1.428±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 10.56 · 10.56±0.20(Predicted)

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 18 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.