Ethyl 3-aminopyridine-2-carboxylate

HCID 565054CAS 27507-15-9

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Grundinformationen

Standard-SMILES: CCOC(=O)c1ncccc1N
InChIKey: FKDRDUIRSZRBSN-UHFFFAOYSA-N
Summenformel: C8H10N2O2
Durchschnittliche Molmasse: 166,18 g/mol
Monoisotopische Masse: 166,07422757

Namen und Bezeichner

Bevorzugter Name: Ethyl 3-aminopyridine-2-carboxylate
IUPAC: ethyl 3-aminopyridine-2-carboxylate
Englischer Name: 3-Aminopyridine-2-carboxylic acid ethyl ester
Summenformel: C8H10N2O2
Molmasse: 166.18

Namen und Synonyme

ethyl 3-aminopyridine-2-carboxylateRefChem:594871820-432-0Ethyl 3-aminopicolinate27507-15-93-Aminopyridine-2-carboxylic acid ethyl ester2-Pyridinecarboxylic acid, 3-amino-, ethyl esterMFCD00661294Ethyl 3-amino-2-pyridinecarboxylateethyl3-aminopicolinateethyl 3-amino-2-pethyl 3-amino-2-picolinate

Weitere Namen anzeigen

3-Aminopicolinic acid ethyl esterPicolinic acid, 3-amino-, ethyl ester3-AMino-2-pyridinecarboxylic Acid Ethyl Ester3-Aminopyridine-2-carboxylic acid ethyl ester ISO 9001：2015 REACH

SCHEMBL1187172SCHEMBL29922777DTXSID90340482CS-D1583AKOS000280856AB06627Ethyl 3-amino-2-pyridinecarboxylate #FS-3731

Datenbank-Bezeichner

CAS: 27507-15-9
PubChem CID: 565054
DTXSID: DTXSID90340482
EC Number: 820-432-0
Nikkaji: J88.499E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 65,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 161

Physikochemische Eigenschaften

Schmelzpunkt: 131 · 131-133 °C
Siedepunkt: 326.2 · 326.2±22.0 °C(Predicted)
Dichte: 1.192 · 1.192±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 2.79 · 2.79±0.10(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)

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.