6-Dimethylaminocarbonyl nicotinic acid

HCID 21696861

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基本情報

CAS: 288083-60-3
標準SMILES: CN(C)C(=O)c1ccc(C(=O)O)cn1
InChIKey: SDZYBFWUMWGSNG-UHFFFAOYSA-N
分子式: C9H10N2O3
平均分子量: 194.19 g/mol

名称と識別子

優先名称: 6-Dimethylaminocarbonyl nicotinic acid
IUPAC: 6-(dimethylcarbamoyl)pyridine-3-carboxylic acid

名称と別名

288083-60-3RefChem:5429306-Dimethylaminocarbonyl nicotinic acid631-122-86-(Dimethylcarbamoyl)nicotinic acid6-(dimethylcarbamoyl)pyridine-3-carboxylic acid6-[(dimethylamino)carbonyl]-3-pyridine carboxylic acidSCHEMBL211416SDZYBFWUMWGSNG-UHFFFAOYSA-N6-Dimethylcarbamoyl-nicotinic acidNLA08360CS-0259317

名称をさらに表示

EN300-7295986-[(dimethylamino)carbonyl]-3-pyridinecarboxylicacidA1-07543

データベース識別子

CAS: 288083-60-3
PubChem CID: 21696861
EC Number: 631-122-8

物性

構造計算による物性

XLogP: 0.2
極性表面積: 70.5 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 240

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.