2-Aminopyridine-4-carboxylic acid (HCID 278396)

Namen und Bezeichner

Bevorzugter Name: 2-Aminopyridine-4-carboxylic acid
IUPAC: 2-aminopyridine-4-carboxylic acid
Englischer Name: 2-Aminoisonicotinic acid
Summenformel: C6H6N2O2
Molmasse: 138.12

Namen und Synonyme

2-aminopyridine-4-carboxylic acidRefChem:465205681-100-72-aminoisonicotinic acid13362-28-22-Amino-4-Pyridinecarboxylic Acid2-Amino-isonicotinic acidMFCD00233714CHEMBL33228662-Amino isonicotinic acid2-Aminoisonicotinicacid4-PYRIDINECARBOXYLIC ACID, 2-AMINO-

Weitere Namen anzeigen

RARECHEM AL BO 2405CHEMBRDG-BB 40151212-Aminoisonicotinicaci2-amino-4-carboxypyridine2-AMinopyridine-4-carboxylic2-Aminoisonicotinic Acid >2-AMINOPYRIDINE-4-CARBOXYLATE2-AMinoisonicotinic Acid, 95+%

NSC127962SCHEMBL220538pyridine, 2-amino-4-carboxy-SCHEMBL6698056SCHEMBL11546896SCHEMBL307057412-Amino-4-PyridinecarboxylicAcidDTXSID40299072

Datenbank-Bezeichner

CAS: 13362-28-2
PubChem CID: 278396
DTXSID: DTXSID40299072
ChEMBL: CHEMBL3322866
EC Number: 681-100-7
Nikkaji: J81.605A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 76,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 138

Physikochemische Eigenschaften

Schmelzpunkt: 300 · 300-302°C
Siedepunkt: 498.5 · 498.5±30.0 °C(Predicted)
Dichte: 1.417 · 1.417±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Powder
pka: 2.11 · 2.11±0.10(Predicted)
Farbe: Off-white to brown
BRN: 3156 · 3156
InChI: InChI=1S/C6H6N2O2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H2,7,8)(H,9,10)
InChIKey: QMKZZQPPJRWDED-UHFFFAOYSA-N
SMILES: C1(N)=NC=CC(C(O)=O)=C1
CAS Datenbank: 13362 · 13362-28-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (84.8%): 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 (97.8%): 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 46 reports by companies from 5 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (84.8%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (97.8%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 36/37/38-23/24/25-22
hazard_code: Xi,T,Xn
hazard_note: Irritant/Keep Cold
safety_code: 26-36-45-36/37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

BeschreibungAs an organic acid, 2-Aminoisonicotinic acid (AN) can be grafted onto chitosan chains through amidation, thereby introducing 2-aminopyridine residues with good hydration capacity. Due to its specific chemical structure possessing push-pull effects and suitable length, 2-aminoisonicotinic acid is a promising ligand for the design of functional metal-organic frameworks. In addition, some studies demonstrated that the compounds bearing 2-aminopyridine residues showed good antibacterial activities. Given its functional characteristics, the grafting of 2-amino isonicotinic acid onto chitosan is expected to exhibit good water solubility and antibacterial activity and serve as an effective ligand to form stable chitosaniodine complexes with iodine for antibacterial applications[1].