CAS 622-40-2 2-Morpholinoethanol (HCID 61163)

概要

2-(morpholin-4-yl)ethanol is a primary alcohol that is ethanol in which one of the methyl hydrogens is replaced by a morpholin-4-yl group. It is a primary alcohol, a member of morpholines and a tertiary amino compound.

名称と識別子

優先名称: 2-Morpholinoethanol
IUPAC: 2-morpholin-4-ylethanol
現地名: 4-(2-ヒドロキシエチル)モルホリン
英語名: 2-Morpholinoethanol
分子式: C6H13NO2
分子量: 131.17

名称と別名

2-Morpholinoethanol622-40-24-(2-Hydroxyethyl)morpholine4-MORPHOLINEETHANOLN-(2-Hydroxyethyl)morpholine2-morpholin-4-ylethanolMorpholineethanol2-(morpholin-4-yl)ethanolEthanol, 2-morpholino-2-(Morpholin-4-Yl)Ethan-1-Olbeta-MorpholinoethanolEthanol, 2-(morpholinyl)-

名称をさらに表示

4-(2-ヒドロキシエチル)モルホリンモルホリン-4-エタノールモルホリンエタノール2-(モルホリノ)エタノール4-モルホリンエタノール2-モルホリノエタノール2-モルホリンエタノ-ルN-(2-ヒドロキシエチル)モルホリン2‐モルホリノエタノール4-(2-ヒドロキシエチル)モルホリン, 99%2-Morpholinoethan-1-ol2-MORPHOLIN-4-YL-ETHANOLAKOS MSC-0730MORPHOLINOETHANOLAKOS BBS-00004369Morpholine ethanol

.beta.-Morpholinoethanolbeta-Oxyaethyl-morpholin [German]N-(2-Hydroxyethyl)morfolinNSC 1946beta-Oxyaethyl-morpholin2-(4-Morpholinyl)-1-ethanolDTXSID2022090UNII-LY5IL94D3K

データベース識別子

CAS: 622-40-2
PubChem CID: 61163
DTXSID: DTXSID2022090
ChEMBL: CHEMBL1821739
ChEBI: CHEBI:67144
UNII: LY5IL94D3K
EC Number: 210-734-5
Nikkaji: J24.530E

物性

構造計算による物性

XLogP: -0.8
極性表面積: 32.7 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: 2
重原子数: 9
形式電荷: 0
複雑度: 71.5

実験および物理化学的性質

Chemical ClassesIndustrial compound

DrugsPharmaceuticals -> Metabolite of Mycophenolate mofetil

SpringerMaterials PropertiesOptical coefficient

Physical DescriptionLiquid

Collision Cross Section125.0 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2022090]

物理化学的性質

融点: -1 °C · -1 °C
沸点: 227 °C757 · 227 °C757 mm Hg(lit.)
比重(密度): 1.083 g/mL · 1.083 g/mL at 25 °C(lit.)
蒸気圧: 2.44 · 2.44-7Pa at 20-25℃
屈折率: 20 · n20/D 1.476(lit.)
闪点: 211 °F · 211 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
外見: 液体
酸解離定数(Pka): 14.88 · 14.88±0.10(Predicted)
色: 無色透明～黄色
PH: 10.7 · 10.7 (100g/l, H2O, 20℃)
爆発限界(explosive limit): 1.5 · 1.5-9.8%(V)
水溶解度: 混和性
BRN: 104375 · 104375
Henry's Law Constant: 1.4 · 1.4×103 mol/(m3Pa) at 25℃, Du et al. (2017)
InChI: 1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2
InChIKey: KKFDCBRMNNSAAW-UHFFFAOYSA-N
SMILES: OCCN1CCOCC1
LogP: -1.32 at · -1.32 at 25℃
CAS データベース: 622 · 622-40-2(CAS DataBase Reference)
NISTの化学物質情報: 4 · 4-Morpholineethanol(622-40-2)
EPAの化学物質情報: 4 · 4-Morpholineethanol (622-40-2)

化学的性質

化学的特性2-Morpholinoethanol is a transparent colorless to yellow liquid. It is used as an organic chemical synthesis intermediate.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 7.1% (16 of 225) of reports.

Warning

H315 (44%): 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 225 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: 4-Morpholineethanol

4-Morpholineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Morpholineethanol 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: 22-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/9993

4-Morpholineethanol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (44%)

安全データ

F: 10-23
wgk: 1
tsca: TSCA listed
rtecs: QE3510000
hs_code: 29349990
risk_code: 36/37/38
化審法: (5)-6876
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-36-37/39
Hazard Classifications: Eye Irrit. 2
ストレージクラス: 10 - Combustible liquids

化学と産業

薬理情報

Tissue LocationsKidney

Cellular LocationsCytoplasm

Metabolite PathwaysMycophenolic Acid Metabolism Pathway

用途と製造

U.S. Production2023: 250,000 - <550,000 lb

Industry UsesCatalyst

General Manufacturing Information · 2 件

Plastics Product Manufacturing

4-Morpholineethanol: ACTIVE

応用分野

使用4-(2-Hydroxyethyl)morpholine is a morphiline derivative used in the preparation of ester prodrugs of naproxen. 4-(2-Hydroxyethyl)morpholine was also shown to induce repair in rat hepatocyte primary cu lture/DNA.

上流・下流製品情報

上流原料

モルホリントリエタノールアミン 2-ブロモエタノールアセトニトリル炭酸カリウム

下流製品

4-(2-クロロエチル)モルホリン塩酸塩ミコフェノール酸モフェチル 4-(2-クロロエチル)モルホリンアクリル酸2-モルホリノエチル 4-[2-(2-NITROPHENOXY)ETHYL]MORPHOLINE 4-Morpholineethanamine, N-2-pyridinyl-メタクリル酸2-(4-モルホリニル)エチルミコフェノール酸モフェチル塩酸塩

サプライヤー100 社

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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

補足説明

定義ChEBI: 2-Morpholinoethanol is a primary alcohol that is ethanol in which one of the methyl hydrogens is replaced by a morpholin-4-yl group. It is a primary alcohol, a tertiary amino compound and a member of morpholines.

化合物ノート

読み込み中…

4-(2-ヒドロキシエチル)モルホリン

基本情報

概要