1-ヒドロキシ-2,2,6,6-テトラメチルピペリジン

2,2,6,6-Tetramethylpiperidin-1-ol

HCID 549976CAS 7031-93-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CC1(C)CCCC(C)(C)N1O
InChIKey: VUZNLSBZRVZGIK-UHFFFAOYSA-N
分子式: C9H19NO
平均分子量: 157.25 g/mol
単同位体質量: 157.14666423

概要

2,2,6,6-Tetramethyl-1-piperidinol is a member of piperidines.

名称と識別子

優先名称: 2,2,6,6-Tetramethylpiperidin-1-ol
IUPAC: 1-hydroxy-2,2,6,6-tetramethylpiperidine
現地名: 1-ヒドロキシ-2,2,6,6-テトラメチルピペリジン
英語名: 1-Hydroxy-2,2,6,6-tetramethylpiperidine
分子式: C9H19NO
分子量: 157.25

名称と別名

2,2,6,6-tetramethylpiperidin-1-olRefChem:440784871-122-77031-93-81-hydroxy-2,2,6,6-tetramethylpiperidinePiperidine, 1-hydroxy-2,2,6,6-tetramethyl-MFCD008738402,2,6,6-Tetramethyl-1-hydroxypiperidineRosuvastatin Impurity 86DTXSID603385782,2,6,6-tetramethyl-piperidinol2,2,6,6-tetramethyl-1-piperidinyloxy,free radical

名称をさらに表示

1-ヒドロキシ-2,2,6,6-テトラメチルピペリジン2,2,6,6-テトラメチルピペリジン-1-オールSKL2222,2,6,6-Tetramethyl-1-hydroxypiperidine(May Contain up to 20% Water)

2,2,6,6-Tetramethyl-1-piperidinol2,2,6,6,-tetramethylpiperidine-1-oxylSY261151S112992,2,6,6-Tetramethyl-1-piperidinyloxy, free radical2,2,6,6-Tetramethylpiperidine 1-Oxyl Free Radical2,2,6,6-Tetramethylpiperidine 1-Oxyl Free Radical (purified by sublimation)Piperidinol, 2,2,6,6-tetramethyl-

データベース識別子

CAS: 7031-93-8
PubChem CID: 549976
DTXSID: DTXSID60338578
ChEMBL: CHEMBL117747
ChEBI: CHEBI:172380
UNII: V7P47JWA4V
EC Number: 871-122-7
Nikkaji: J378.840G

物性

構造計算による物性

XLogP: 1.4
極性表面積: 23.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 136

物理化学的性質

融点: 39 · 39-40 °C
沸点: 208.8 · 208.8±7.0 °C(Predicted)
比重(密度): 0.917 · 0.917±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
外見: Oil
酸解離定数(Pka): 14.28 · 14.28±0.60(Predicted)
色: Orange to Dark Orange
InChI: InChI=1S/C9H19NO/c1-8(2)6-5-7-9(3,4)10(8)11/h11H,5-7H2,1-4H3
InChIKey: VUZNLSBZRVZGIK-UHFFFAOYSA-N
SMILES: N1(O)C(C)(C)CCCC1(C)C

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

応用分野 · 1 件

使用2,2,6,6-Tetramethyl-1-hydroxypiperidine is a reactant used in various synthesis and investigations. It was used as a reactant in the study of predicting organic hydrogen atom transfer rate constants using the Marcus cross relation. 2,2,6,6-Tetramethyl-1-hydroxypiperidine was also used as a reactant in the preparation of ammonia from an iron nitrido complex.