2-吗啉异吡啶甲酸

2-(Morpholin-4-yl)isonicotinic acid

HCID 2762479CAS 295349-64-3

子结构检索查找相似结构

基本信息

标准SMILES: O=C(O)c1ccnc(N2CCOCC2)c1
InChIKey: OVOIVNZYILYGKU-UHFFFAOYSA-N
分子式: C10H12N2O3
平均分子量: 208.21 g/mol
单同位素质量: 208.08479224

名称与标识

首选名称: 2-(Morpholin-4-yl)isonicotinic acid
IUPAC: 2-morpholin-4-ylpyridine-4-carboxylic acid
中文名: 2-吗啉异吡啶甲酸
英文名: 2-MORPHOLIN-4-YL-ISONICOTINIC ACID
分子式: C10H12N2O3
分子量: 208.21

名称与别名

295349-64-32-(Morpholin-4-yl)isonicotinic AcidRefChem:461470640-353-32-Morpholinoisonicotinic acid2-Morpholin-4-yl-isonicotinic acid2-morpholin-4-ylisonicotinic acid2-(morpholin-4-yl)pyridine-4-carboxylic acid2-Morpholinopyridine-4-carboxylic acidMFCD034116662-morpholin-4-ylpyridine-4-carboxylic acid4-PYRIDINECARBOXYLIC ACID, 2-(4-MORPHOLINYL)-

展开更多名称

2-吗啉异烟酸2-吗啉异吡啶甲酸2-N-吗啉基异烟酸2-(4-吗啉)异烟酸2-吗啉-4-基异烟酸2-(4-吗啉基)异烟酸2-(4-吗啡啉基)异烟酸2-N-吗啉基吡啶-4-羧酸2-N-吗啉基-4-吡啶羧酸2-吗啉-4-基吡啶-4-羧酸ASINEX-REAG BAS 077562862-(4-MORPHOLINYL)-ISONITINIC ACID2-Morpholinoisonicotinic acid ,97%2-(4-Morpholinyl)isonicotinic acid2-Morpholin-4-ylisonicotinic acid 97%2-morpholino-4-pyridinecarboxylic acid2-Morpholin-4-ylisonicotinic acid ,97%

CHEMBL4491722-(4-morpholinyl)-4-pyridinecarboxylic acid2-MorpholinoisonicotinicacidSCHEMBL1255470DTXSID90376246OVOIVNZYILYGKU-UHFFFAOYSA-NHMS5215M14BDBM50278659

数据库标识

CAS: 295349-64-3
PubChem CID: 2762479
DTXSID: DTXSID90376246
ChEMBL: CHEMBL449172
EC Number: 640-353-3

性质

结构计算性质

XLogP: 0.5
极性表面积: 62.7 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 2
重原子: 15
形式电荷: 0
复杂度: 229

物理化学性质

熔点: 180 °C · 180 °C
储存条件: 2 · 2-8°C
形态: solid
颜色: Light yellow

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.