1-メチルピペラジン-2-オン

1-Methylpiperazin-2-one

HCID 4399042

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 59702-07-7
標準SMILES: CN1CCNCC1=O
InChIKey: KJCIMSSFGUGTGA-UHFFFAOYSA-N
分子式: C5H10N2O
平均分子量: 114.15 g/mol
単同位体質量: 114.07931295

名称と識別子

優先名称: 1-Methylpiperazin-2-one
IUPAC: 1-methylpiperazin-2-one
現地名: 1-メチルピペラジン-2-オン
英語名: 1-Methylpiperazin-2-one
分子式: C5H10N2O
分子量: 114.15

名称と別名

1-methylpiperazin-2-one59702-07-7DTXSID40402847RefChem:232082DTXCID20353702696-637-21-Methyl-piperazin-2-one1-Methyl-2-piperazinoneMFCD001025722-piperazinone, 1-methyl-, hydrochloridePiperazinone, 1-methyl-4-methyl-3-oxo-piperazine

名称をさらに表示

1-メチルピペラジン-2-オン1-methylazine-2-one1-Methylpiperazin-2-on-Methyl-piperazin-2-one1-METHYL-PIPERAZINE-2-ONE2-Piperazinone, 1-methyl-1-Methylpiperazin-2-one ,97%1-Methylpiperazin-2-one ,98%1-methylpiperazin-2-one(SALTDATA: HCl)

methylpiperazinoneN-methyl piperazoneN-methylpiperazinone1-methylpiperazinoneN-methyl-piperazinonemethylpiperazin-2-one1-methyl-2-oxopiperazineSCHEMBL4871

データベース識別子

CAS: 59702-07-7
PubChem CID: 4399042
DTXSID: DTXSID40402847
EC Number: 696-637-2

物性

構造計算による物性

XLogP: -0.9
極性表面積: 32.3 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: 8
形式電荷: 0
複雑度: 103

物理化学的性質

沸点: 242.1 · 242.1±33.0 °C(Predicted)
比重(密度): 1.037 · 1.037±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: Liquid
酸解離定数(Pka): 7.42 · 7.42±0.20(Predicted)
InChI: InChI=1S/C5H10N2O/c1-7-3-2-6-4-5(7)8/h6H,2-4H2,1H3
InChIKey: KJCIMSSFGUGTGA-UHFFFAOYSA-N
SMILES: N1(C)CCNCC1=O

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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 3 reports by companies from 3 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2933599590
risk_code: 43
hazard_code: Xi
safety_code: 36/37

化学と産業

上流・下流製品情報

上流原料

サプライヤー100 社

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

泰州葛林美克医药科技有限公司15366892466

上海凌凯科技股份有限公司58950110 13124863828 · [email protected]

化合物ノート

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