1-Hydroxy-2,2,6,6-tetramethyl-4-oxopiperidine

HCID 98642CAS 3637-11-4

基本情報

標準SMILES: CC1(C)CC(=O)CC(C)(C)N1O
InChIKey: KMEUSKGEUADGET-UHFFFAOYSA-N
分子式: C9H17NO2
平均分子量: 171.24 g/mol
単同位体質量: 171.12592879

名称と識別子

優先名称: 1-Hydroxy-2,2,6,6-tetramethyl-4-oxopiperidine
IUPAC: 1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one
英語名: 1-Hydroxy-2,2,6,6-tetramethyl-4-oxopiperidine
分子式: C9H17NO2
分子量: 171.24

名称と別名

3637-11-4Tempone-H1-Hydroxy-2,2,6,6-tetramethyl-4-oxopiperidineDTXSID30189892RefChem:75956DTXCID901123831-hydroxy-2,2,6,6-tetramethyl-4-oxopiperidine hydrochloride1-hydroxy-2,2,6,6-tetramethylpiperidin-4-one1-Hydroxy-2,2,6,6-tetramethyl-4-piperidinoneMFCD00006187MLS0031064341-hydroxy-2,2,6,6-tetramethyl-4-oxo-piperidine

名称をさらに表示

1-hydroxy-2,2,6,6-tetramethyl-4-piperidone1-Hydroxy-2,2,6,6-tetramethyl-4-oxo-piperidine hydrochloride1-Hydroxy-2,2,6,6-tetramethyl-4-oxo-piperidine hydrochloride (technical grade)

4-Piperidinone, 1-hydroxy-2,2,6,6-tetramethyl-4-Oxo-2,2,6,6-tetramethylpiperidine 1-Oxyl Free Radical4-Oxo-2,2,6,6-tetramethylpiperidinoxyNSC156571starbld00018531-Hydroxy-2,2,6,6-tetramethyl-piperidin-4-oneSCHEMBL50791SCHEMBL85990

データベース識別子

CAS: 3637-11-4
PubChem CID: 98642
DTXSID: DTXSID30189892
ChEMBL: CHEMBL326931
Nikkaji: J793.733D

物性

構造計算による物性

XLogP: 0.5
極性表面積: 40.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 189

物理化学的性質

融点: 92 °C · 92 °C(Solv: hexane (110-54-3))
沸点: 257.5 · 257.5±29.0 °C(Predicted)
比重(密度): 1.02 · 1.020±0.06 g/cm3(Predicted)
酸解離定数(Pka): 12.85 · 12.85±0.60(Predicted)
外見: 白色からオフホワイトの結晶性粉末。
色: Light yellow to brown

化学と産業

応用分野

使用1-Hydroxy-2,2,6,6-tetramethyl-4-oxo-piperidine Hydrochloride is a very effective, cell permeable and non-toxic spin trap for the detection of superoxide radical and peroxynitrite.