Ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-carboxylat

Ethyl 7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

HCID 5373687CAS 13250-96-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCOC(=O)c1c[nH]c2nc(C)ccc2c1=O
InChIKey: KPXWNJGVBKCXKB-UHFFFAOYSA-N
Summenformel: C12H12N2O3
Durchschnittliche Molmasse: 232,23 g/mol
Monoisotopische Masse: 232,08479224

Namen und Bezeichner

Bevorzugter Name: Ethyl 7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
IUPAC: ethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
Lokaler Name: Ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-carboxylat
Englischer Name: ethyl 7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
Summenformel: C12H12N2O3
Molmasse: 232.24

Namen und Synonyme

35482-56-5Ethyl 7-methyl-4-oxo-1,8-naphthyridine-3-carboxylateEINECS 252-589-0RefChem:596032252-589-013250-96-9Ethyl 4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylateethyl 7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylateethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylateEINECS 236-234-7MFCD002347971,8-Naphthyridine-3-carboxylic acid, 4-hydroxy-7-methyl-, ethyl ester

Weitere Namen anzeigen

1,4-Dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid ethyl ester7-Methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid ethyl ester1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID,1,4-DIHYDRO-7-METHYL-4-OXO-,ETHYL ESTER

Nalidixic Acid EP Impurity BMLS000673271CHEMBL372420MFCD07798721SMR000314512Ethyl 4-hydroxy-7-methyl[1,8]naphthyridine-3-carboxylate7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid ethyl esterethyl 1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

Datenbank-Bezeichner

CAS: 13250-96-9、35482-56-5
PubChem CID: 5373687
DTXSID: DTXSID00927708
ChEMBL: CHEMBL372420
EC Number: 236-234-7、252-589-0
Nikkaji: J213.778J、J260.632A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 68,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 17
Formalladung: 0
Komplexität: 365

Physikochemische Eigenschaften

Schmelzpunkt: 274 · 274-277 °C
Siedepunkt: 468.9 · 468.9±45.0 °C(Predicted)
Dichte: 1.3 · 1.30±0.1 g/cm3(Predicted)
pka: 1.55 · 1.55±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.