CAS 1263776-17-5 6-(1-(Tert-butoxycarbonyl)piperidin-4-yl)picolinic acid (HCID 66686647)

基本情報

CAS: 1263776-17-5
標準SMILES: CC(C)(C)OC(=O)N1CCC(c2cccc(C(=O)O)n2)CC1
InChIKey: HCTZOZAGAVQLAE-UHFFFAOYSA-N
分子式: C16H22N2O4
平均分子量: 306.36 g/mol

名称と識別子

優先名称: 6-(1-(Tert-butoxycarbonyl)piperidin-4-yl)picolinic acid
IUPAC: 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid

名称と別名

6-(1-(tert-butoxycarbonyl)piperidin-4-yl)picolinic acid1263776-17-5SCHEMBL439486TQP1307HCTZOZAGAVQLAE-UHFFFAOYSA-N6-[1-(tert-Butoxycarbonyl)piperidin-4-yl]pyridine-2-carboxylic acid3',4',5',6'-tetrahydro-2'H-[2,4']bipyridinyl-6,1'-dicarboxylic acid 1'-tert-butyl ester

データベース識別子

CAS: 1263776-17-5
PubChem CID: 66686647
EC Number: 156-170-2

物性

構造計算による物性

XLogP: 2.2
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: 4
重原子数: 22
形式電荷: 0
複雑度: 411

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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