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

이름 및 식별자

우선 이름: 2-Aminopyridine-4-carboxylic acid
IUPAC: 2-aminopyridine-4-carboxylic acid
영어명: 2-Aminoisonicotinic acid
분자식: C6H6N2O2
분자량: 138.12

이름 및 동의어

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-

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0
극성 표면적: 76.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 138

물리화학적 성질

녹는점: 300 · 300-302°C
끓는 점: 498.5 · 498.5±30.0 °C(Predicted)
밀도: 1.417 · 1.417±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 가루
산도 계수 (pKa): 2.11 · 2.11±0.10(Predicted)
색상: 황백색에서 갈색까지
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

화학적 성질

Light yellow Cryst

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38-23/24/25-22
hazard_code: Xi,T,Xn
safety_code: 26-36-45-36/37/39
위험 등급: IRRITANT
위험 참고 사항: Irritant/Keep Cold
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

개요As 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].