1-ピペラジンエタノール
1-(2-Hydroxyethyl)piperazine
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基本情報
- CAS
103-76-4- 標準SMILES
OCCN1CCNCC1- InChIKey
WFCSWCVEJLETKA-UHFFFAOYSA-N- 分子式
- C6H14N2O
- 平均分子量
- 130.19 g/mol
- 単同位体質量
- 130.11061307
名称と識別子
- 優先名称
- 1-(2-Hydroxyethyl)piperazine
- IUPAC
- 2-piperazin-1-ylethanol
- 現地名
- 1-ピペラジンエタノール
- 英語名
- 1-(2-Hydroxyethyl)piperazine
- 分子式
- C6H14N2O
- 分子量
- 130.19
名称と別名
N-(2-Hydroxyethyl)piperazine103-76-41-(2-Hydroxyethyl)piperazine1-PIPERAZINEETHANOL2-Piperazin-1-ylethanol2-PiperazinoethanolHydroxyethylpiperazine2-(1-Piperazinyl)ethanol1-Piperazinethanol2-HydroxyethylpiperazineUSAF DO-222-(piperazin-1-yl)ethanol
名称をさらに表示
1-ピペラジンエタノール2-(ピペラジン-1-イル)エタノール2-ピペラジノエタノール1-(2-ヒドロキシエチル)ピペラジンピペラジン-1-エタノール2-(1-ピペラジニル)エタノールN(ヒドロキシエチル)ピペラジンN-(2-ヒドロキシエチル)ピペラジンＮ（２′ヒドロキシエチル）ピペラジン1-ピペラジンエタノール〔1-(2-ヒドロキシエチル)ピペラジン〕1‐ピペラジンエタノール2-(1-ピペラジル)エタノール1-(2-ヒドロキシエチル)ピペラジン, 98+%N- (2- HYDROXYETHYL) PIPERAZINE(1-ピペラジンエタノール)2-(Piperazin-1-yl)ethan-1-olN-HYDROXYETHYLPIPERAZINE2-PIPERAZIN-1-YL-ETHANOLHydroxyethylPiperazine /1-PiperazineethanolNSC 60706NSC 38969
4-(2-Hydroxyethyl)piperazineEthanol, 2-(1-piperazinyl)-N-(beta-Hydroxyethyl)piperazine1-(beta-Hydroxyethyl)piperazineNSC 26884CCRIS 6687DTXSID3021853G7VXS31ZFP
データベース識別子
- CAS
103-76-4- PubChem CID
- 7677
- DTXSID
DTXSID3021853- ChEMBL
CHEMBL3183736- UNII
- G7VXS31ZFP
- EC Number
- 203-142-3
- Nikkaji
- J76.692E
物性
構造計算による物性補完中
- XLogP
- -1.1
- 極性表面積
- 35.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 71
実験および物理化学的性質
Physical Description
Liquid
Light yellow liquid; [Aldrich MSDS]
Kovats Retention Index1948；1985
Collision Cross Section125.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3021853]；124.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID3021853]
物理化学的性質
- 融点
- -38.5 °C · -38.5 °C
- 沸点
- 246 °C · 246 °C(lit.)
- 比重(密度)
- 1.061 g/mL · 1.061 g/mL at 25 °C(lit.)
- 蒸気圧
- 0.007 hPa · 0.007 hPa (20 °C)
- 屈折率
- 20 · n20/D 1.506(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- クロロホルム（微量）、メタノール（微量）
- 外見
- 油性液体
- 酸解離定数(Pka)
- 14.96 · 14.96±0.10(Predicted)
- 色
- 無色透明～淡黄色
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (76.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (18.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (19.6%): 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, P305+P354+P338, P317, 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 260 reports by companies from 20 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
Regulatory Information
Chemical: 1-Piperazineethanol
1-Piperazineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperazineethanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 06-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19699；Status: Active Update: 26-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/21255
2-(1-Piperazinyl) ethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A moderate eye and mild skin irritant; Causes somnolence, muscle weakness, and muscle contraction or spasticity in oral lethal-dose studies of guinea pigs and rabbits; [RTECS] An irritant; Prolonged or repeated exposure may cause allergic reactions in certain sensitive individuals. [Aldrich MSDS]
化学と産業
用途と製造
U.S. Production2023: 700,000 - <850,000 lb；2022: 1,000,000 - <5,000,000 lb；2021: 400,000 - <550,000 lb；2020: 100,000 - <250,000 lb
Industry UsesOther；Solvent；Flotation agent；Intermediate；Absorbent
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing；Petroleum Refineries；All Other Basic Organic Chemical Manufacturing；Mining (except Oil and Gas) and support activities
1-Piperazineethanol: ACTIVE
応用分野
説明1-(2-Hydroxyethyl)piperazine (HEP) is obtained during ethyleneamine production and used for corrosion inhibitors, pharmaceuticals, surfactants, and synthetic fibers.
使用1-(2-Hydroxyethyl)piperazine is a hydroxyalkyl substituted pieprazine used in the preparation of pharmaceutical compounds such as neuroleptic agents.
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