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

名称と識別子

優先名称: 2-Aminopyridine-4-carboxylic acid
IUPAC: 2-aminopyridine-4-carboxylic acid
現地名: 2-アミノイソニコチン酸
英語名: 2-Aminoisonicotinic acid
分子式: C6H6N2O2
分子量: 138.12

名称と別名

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-

名称をさらに表示

2-アミノイソニコチン酸2-アミノピリジン-4-カルボン酸2-アミノ-イソニコチン酸2-アミノピリジン-4-カルボン酸, 96%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

データベース識別子

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

物性

構造計算による物性

XLogP: 0
極性表面積: 76.2 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 138

物理化学的性質

融点: 300 · 300-302°C
沸点: 498.5 · 498.5±30.0 °C(Predicted)
比重(密度): 1.417 · 1.417±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
外見: 粉
酸解離定数(Pka): 2.11 · 2.11±0.10(Predicted)
色: オフホワイトからブラウン
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 データベース: 13362 · 13362-28-2(CAS DataBase Reference)

化学的性質

化学的特性Light yellow Cryst

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

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
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 1 件

説明As 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].