6-(((Tert-butoxy)carbonyl)(ethyl)amino)pyridine-3-carboxylic acid

HCID 66769552CAS 1187368-46-2

基本情報

標準SMILES: CCN(C(=O)OC(C)(C)C)c1ccc(C(=O)O)cn1
InChIKey: PJZIGPNYGIGSRC-UHFFFAOYSA-N
分子式: C13H18N2O4
平均分子量: 266.29 g/mol
単同位体質量: 266.12665706

名称と識別子

優先名称: 6-(((Tert-butoxy)carbonyl)(ethyl)amino)pyridine-3-carboxylic acid
IUPAC: 6-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-3-carboxylic acid

名称と別名

1187368-46-26-{[(tert-butoxy)carbonyl](ethyl)amino}pyridine-3-carboxylic acid6-(((Tert-butoxy)carbonyl)(ethyl)amino)pyridine-3-carboxylic acidRefChem:538870858-579-86-(tert-Butoxycarbonyl-ethyl-amino)-nicotinic acid6-{[(tert-butoxy)carbonyl](ethyl)amino}pyridine-3-carboxylicacid6-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-3-carboxylic acidSCHEMBL691345PJZIGPNYGIGSRC-UHFFFAOYSA-NDB-113876EN300-6508936

データベース識別子

CAS: 1187368-46-2
PubChem CID: 66769552
EC Number: 858-579-8

物性

構造計算による物性

XLogP: 1.8
極性表面積: 79.7 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 5
重原子数: 19
形式電荷: 0
複雑度: 338

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.