1,2,2,6,6-ペンタメチル-4-ピペリドン

1,2,2,6,6-Pentamethyl-4-piperidone

HCID 241955

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 5554-54-1
標準SMILES: CN1C(C)(C)CC(=O)CC1(C)C
InChIKey: GHJUORCGZFHNKG-UHFFFAOYSA-N
分子式: C10H19NO
平均分子量: 169.26 g/mol
単同位体質量: 169.14666423

名称と識別子

優先名称: 1,2,2,6,6-Pentamethyl-4-piperidone
IUPAC: 1,2,2,6,6-pentamethylpiperidin-4-one
現地名: 1,2,2,6,6-ペンタメチル-4-ピペリドン
英語名: 1 2 2 6 6-Pentamethyl-4-piperidone 97
分子式: C10H19NO
分子量: 169.26

名称と別名

1,2,2,6,6-Pentamethyl-4-piperidoneRefChem:410405628-282-61,2,2,6,6-pentamethylpiperidin-4-one5554-54-1MFCD002346841,2,2,6,6-pentamethyl-4-piperidinoneSCHEMBL578932DTXSID602872591 2 2 6 6-PENTAMETHYL-4-PIPERIDONE 97GEO-02088AKOS005255299

名称をさらに表示

1,2,2,6,6-ペンタメチル-4-ピペリドン4-Piperidinone, 1,2,2,6,6-pentamethyl-1,2,2,6,6-Pentamethyl-4-piperidone 97%1 2 2 6 6-Pentamethyl-4-piperidone 971-Methyl-2,2,6,6-tetramethyl-4-oxopiperidine

SB41142AS-55185SCHEMBL11622909SY284BBL102813STL556621FP07002SY284212

データベース識別子

CAS: 5554-54-1
PubChem CID: 241955
DTXSID: DTXSID60287259
EC Number: 628-282-6
Nikkaji: J2.818.308I

物性

構造計算による物性

XLogP: 1
極性表面積: 20.3 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 12
形式電荷: 0
複雑度: 186

物理化学的性質

沸点: 230 · 230-231 °C (lit.)
比重(密度): 0.949 g/mL · 0.949 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.476(lit.)
闪点: 195 °F · 195 °F
貯蔵温度: -20 °C · -20°C
InChI: 1S/C10H19NO/c1-9(2)6-8(12)7-10(3,4)11(9)5/h6-7H2,1-5H3
InChIKey: GHJUORCGZFHNKG-UHFFFAOYSA-N
SMILES: CN1C(C)(C)CC(=O)CC1(C)C

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 40 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3
hs_code: 2933998090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

使用1,2,2,6,6-Pentamethyl-4-piperidone may be used in the preparation of 1-phenyl-2,2,6,6-tetramethyl-4-phenyliminopiperidine and 1-benzyl-2,2,6,6-tetramethyl-4-benzyliminopiperidine.

一般的な説明1,2,2,6,6-Pentamethyl-4-piperidone is an intermediate for preparing pentamethylpiperidines of pharmacological importance. Its conformational analysis based on proton magnetic resonance spectra, dipole moments and molar Kerr constant have been reported.