CAS 3298-16-6 5-Methylpiperidin-2-one (HCID 10877083)

基本情報

CAS: 3298-16-6
標準SMILES: CC1CCC(=O)NC1
InChIKey: NSRPFJGOCZUUHE-UHFFFAOYSA-N
分子式: C6H11NO
平均分子量: 113.16 g/mol
単同位体質量: 113.08406397

名称と識別子

優先名称: 5-Methylpiperidin-2-one
IUPAC: 5-methylpiperidin-2-one
現地名: 5-メチルピペリジン-2-オン
英語名: 5-METHYL-2-PIPERIDINONE
分子式: C6H11NO
分子量: 113.16

名称と別名

5-methylpiperidin-2-one3298-16-6DTXSID30446679RefChem:304302DTXCID20397500841-854-15-methyl-2-piperidinoneMFCD131787002-Piperidinone, 5-methyl-(5R)-5-methylpiperidin-2-one5-methyl-2-piperidoneSCHEMBL1115543

名称をさらに表示

5-メチルピペリジン-2-オン

SCHEMBL9587320SCHEMBL16151237NSRPFJGOCZUUHE-UHFFFAOYSA-NAKOS006237444SB42941BS-12925SY033088DB-359057

データベース識別子

CAS: 3298-16-6
PubChem CID: 10877083
DTXSID: DTXSID30446679
EC Number: 841-854-1
Nikkaji: J986.469E

物性

構造計算による物性

XLogP: 0.4
極性表面積: 29.1 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 101

物理化学的性質

融点: 40 °C · 40 °C
沸点: 254 · 254.0±9.0 °C(Predicted)
比重(密度): 0.951 · 0.951±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: Solid
酸解離定数(Pka): 16 · 16+-.0.40(Predicted)
色: Pale Yellow

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.