2-(Morpholin-4-yl)isonicotinic acid

HCID 2762479CAS 295349-64-3

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Grundinformationen

Standard-SMILES: O=C(O)c1ccnc(N2CCOCC2)c1
InChIKey: OVOIVNZYILYGKU-UHFFFAOYSA-N
Summenformel: C10H12N2O3
Durchschnittliche Molmasse: 208,21 g/mol
Monoisotopische Masse: 208,08479224

Namen und Bezeichner

Bevorzugter Name: 2-(Morpholin-4-yl)isonicotinic acid
IUPAC: 2-morpholin-4-ylpyridine-4-carboxylic acid
Englischer Name: 2-MORPHOLIN-4-YL-ISONICOTINIC ACID
Summenformel: C10H12N2O3
Molmasse: 208.21

Namen und Synonyme

295349-64-32-(Morpholin-4-yl)isonicotinic AcidRefChem:461470640-353-32-Morpholinoisonicotinic acid2-Morpholin-4-yl-isonicotinic acid2-morpholin-4-ylisonicotinic acid2-(morpholin-4-yl)pyridine-4-carboxylic acid2-Morpholinopyridine-4-carboxylic acidMFCD034116662-morpholin-4-ylpyridine-4-carboxylic acid4-PYRIDINECARBOXYLIC ACID, 2-(4-MORPHOLINYL)-

Weitere Namen anzeigen

ASINEX-REAG BAS 077562862-(4-MORPHOLINYL)-ISONITINIC ACID2-Morpholinoisonicotinic acid ,97%2-(4-Morpholinyl)isonicotinic acid2-Morpholin-4-ylisonicotinic acid 97%2-morpholino-4-pyridinecarboxylic acid2-Morpholin-4-ylisonicotinic acid ,97%

CHEMBL4491722-(4-morpholinyl)-4-pyridinecarboxylic acid2-MorpholinoisonicotinicacidSCHEMBL1255470DTXSID90376246OVOIVNZYILYGKU-UHFFFAOYSA-NHMS5215M14BDBM50278659

Datenbank-Bezeichner

CAS: 295349-64-3
PubChem CID: 2762479
DTXSID: DTXSID90376246
ChEMBL: CHEMBL449172
EC Number: 640-353-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 62,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 229

Physikochemische Eigenschaften

Schmelzpunkt: 180 °C · 180 °C
storage temp.: 2 · 2-8°C
Aggregatzustand: solid
Farbe: Light yellow

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.