Methyl 4-aminopyridine-3-carboxylate

HCID 592353CAS 16135-36-7

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Grundinformationen

Standard-SMILES: COC(=O)c1cnccc1N
InChIKey: OCARFFAPQGYGBP-UHFFFAOYSA-N
Summenformel: C7H8N2O2
Durchschnittliche Molmasse: 152,15 g/mol
Monoisotopische Masse: 152,0585775

Namen und Bezeichner

Bevorzugter Name: Methyl 4-aminopyridine-3-carboxylate
IUPAC: methyl 4-aminopyridine-3-carboxylate
Englischer Name: Methyl 4-aminopyridine-3-carboxylate
Summenformel: C7H8N2O2
Molmasse: 152.15

Namen und Synonyme

methyl 4-aminopyridine-3-carboxylateRefChem:816199672-071-1Methyl 4-aminonicotinate16135-36-74-Aminonicotinic acid methyl ester3-Pyridinecarboxylic acid, 4-amino-, methyl ester4-amino-nicotinic acid methyl ester4-Aminopyridine-3-carboxylic acid methyl esterMFCD00955996Nicotinic acid, 4-amino-, methyl estermethyl-4-aminonicotinate

Weitere Namen anzeigen

4-AminonicotinateRARECHEM AL BF 13864-Amino Methyl nicotinateMethyl4-Aminonicotinate>Methyl4-aminonicotinate,98%Methyl 4-aminonicotinate 98%

DTXSID00343803CS-W001891FS-1350EN300-183104Z12016207054-AminonicotinicacidmethylesterA3572METHYL4-AMINONICOTINATE

Datenbank-Bezeichner

CAS: 16135-36-7
PubChem CID: 592353
DTXSID: DTXSID00343803
EC Number: 672-071-1
Nikkaji: J82.484D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 65,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 149

Physikochemische Eigenschaften

Schmelzpunkt: 172 · 172-174℃
Siedepunkt: 288.7 · 288.7±20.0 °C(Predicted)
Dichte: 1.238 · 1.238±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 7.04 · 7.04±0.12(Predicted)
Farbe: White to Almost white
InChI: 1S/C7H8N2O2/c1-11-7(10)5-4-9-3-2-6(5)8/h2-4H,1H3,(H2,8,9)
InChIKey: OCARFFAPQGYGBP-UHFFFAOYSA-N
SMILES: Nc1c(cncc1)C(=O)OC
CAS Datenbank: 16135 · 16135-36-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (12.5%)

Sicherheitsdaten

ridadr: UN2811
hs_code: 29333990
risk_code: 36/37/38
safety_code: 26-37
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral