Methyl 4-aminopyridine-2-carboxylate

HCID 3759117CAS 71469-93-7

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: COC(=O)c1cc(N)ccn1
InChIKey: YHOVYZINCVIRGK-UHFFFAOYSA-N
Summenformel: C7H8N2O2
Durchschnittliche Molmasse: 152,15 g/mol
Monoisotopische Masse: 152,0585775

Namen und Bezeichner

Bevorzugter Name: Methyl 4-aminopyridine-2-carboxylate
IUPAC: methyl 4-aminopyridine-2-carboxylate
Englischer Name: Methyl 4-aminopyridine-2-carboxylate
Summenformel: C7H8N2O2
Molmasse: 152.15

Namen und Synonyme

Methyl 4-aminopyridine-2-carboxylate71469-93-7DTXSID10396027RefChem:355578DTXCID70346886811-828-4methyl 4-aminopicolinate4-Amino-pyridine-2-carboxylic acid methyl esterMFCD00956000methyl 4-amino-2-pyridinecarboxylatemethyl 4-aminopicolateSCHEMBL1336313

Weitere Namen anzeigen

4-aminopyridine-2-carboxylateMETHYL 4-AMINO-PYRIDINE-2-CARBOXYLATESuzetrigine6Suzetrigine YCHEMPACIFIC 38133Suzetrigine Impurity 74-Aminopyridine-2-carboxylic a

4-Aminopicolinic Acid Methyl EsterAKOS005073270SY026101M2833EN300-1215514-aminopyridine-2-carboxylic acid methyl esterMethyl4-aminopyridine-2-carboxylate2-Pyridinecarboxylic acid, 4-amino-, methyl ester

Datenbank-Bezeichner

CAS: 71469-93-7
PubChem CID: 3759117
DTXSID: DTXSID10396027
EC Number: 811-828-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
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: 129 · 129-130°
Siedepunkt: 333.7 · 333.7±22.0 °C(Predicted)
Dichte: 1.238 · 1.238±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand: powder to crystal
pka: 4.35 · 4.35±0.10(Predicted)
Farbe: White to Light yellow
InChI: InChI=1S/C7H8N2O2/c1-11-7(10)6-4-5(8)2-3-9-6/h2-4H,1H3,(H2,8,9)
InChIKey: YHOVYZINCVIRGK-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC=CC(N)=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (20%): 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (20%)

Sicherheitsdaten

ridadr: UN2811
hs_code: 2933399990
hazard_class: IRRITANT
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral