3-Aminoisonicotinic acid

HCID 459531CAS 7579-20-6

基本情報

標準SMILES: Nc1cnccc1C(=O)O
InChIKey: FYEQKMAVRYRMBL-UHFFFAOYSA-N
分子式: C6H6N2O2
平均分子量: 138.12 g/mol

名称と識別子

優先名称: 3-Aminoisonicotinic acid
IUPAC: 3-aminopyridine-4-carboxylic acid

名称と別名

3-Aminoisonicotinic acid7579-20-64-Pyridinecarboxylic acid, 3-amino-RefChem:92975676-875-3FYEQKMAVRYRMBL-UHFFFAOYSA-N3-aminopyridine-4-carboxylic acid7529-20-63-Amino-4-pyridinecarboxylic acid3-amino isonicotinic acid3-Amino-isonicotinic acidMFCD00137840

名称をさらに表示

3-Amino-4-carboxypyridineCHEMBL13836713-Amino-4-Pyridine Carboxylic Acid3-Aminoisonicotinicacid3-Amino-4-pyridinecarboxylic Acid; 3-Amino-4-picoline;4SV3-aminoisonicotinoic acid3-arninoisonicotinic acid

データベース識別子

CAS: 7579-20-6
PubChem CID: 459531
ChEMBL: CHEMBL1383671
EC Number: 676-875-3
Nikkaji: J81.421K

物性

構造計算による物性

XLogP: 0.2
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

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.