2-[ベンジル(メチル)アミノ]エタノール
N-Benzyl-N-methylethanolamine
基本情報
- CAS
101-98-4- 標準SMILES
CN(CCO)Cc1ccccc1- InChIKey
WOUANPHGFPAJCA-UHFFFAOYSA-N- 分子式
- C10H15NO
- 平均分子量
- 165.23 g/mol
- 単同位体質量
- 165.1153641
名称と識別子
- 優先名称
- N-Benzyl-N-methylethanolamine
- IUPAC
- 2-[benzyl(methyl)amino]ethanol
- 現地名
- 2-[ベンジル(メチル)アミノ]エタノール
- 英語名
- N-Benzyl-N-methylethanolamine
- 分子式
- C10H15NO
- 分子量
- 165.23
名称と別名
101-98-4N-Benzyl-N-methylethanolamineEthanol, 2-[methyl(phenylmethyl)amino]-2-(Benzylmethylamino)ethanolN-Methyl-N-benzylethanolamineN-benzyl-N-methyl-2-aminoethanolEthanol, 2-(benzylmethylamino)-N-Benzyl-N-methyl-ethanolamineEthanol, 2-(methyl(phenylmethyl)amino)-AI3-2679761LYX8089CEINECS 202-994-3
名称をさらに表示
2-(メチルベンジルアミノ)エタノール2-(N-ベンジル-N-メチルアミノ)エタノールベンジルメチル(2-ヒドロキシエチル)アミン2-[ベンジル(メチル)アミノ]エタノール2-(ベンジルメチルアミノ)エタノールN-ベンジル-N-メチルエタノールアミン2-[ベンジル(メチル)アミノ]アセトアルデヒド2-[ベンジル(メチル)アミノ]エタン-1-オールN-Benzyl-N-methylethanolamine,90%2-[BENZYL(METHYL)AMINO]ACETALDEHYDE2-[methyl(phenylmethyl)amino]-ethanoN-Benzyl-N-MethylNicardipine Impurity87Nicardipine Impurity 6Fluoxetine Impurity 37Fluoxetine Impurity 44
DTXSID5059242.BETA.-(N-BENZYL-N-METHYLAMINO)ETHANOLN-BENZYL-N-METHYL-ETHANOLAMINE [USP-RS]N-BENZYL-N-METHYL-ETHANOLAMINE (USP-RS)RefChem:829216DTXCID8032592Ethanol, 2-methyl(phenylmethyl)amino-BETA-(N-BENZYL-N-METHYLAMINO)ETHANOL
データベース識別子
- CAS
101-98-4- PubChem CID
- 66876
- DTXSID
DTXSID5059242- UNII
- 61LYX8089C
- EC Number
- 202-994-3
- Nikkaji
- J31.140E
物性
構造計算による物性
- XLogP
- 1.3
- 極性表面積
- 23.5 Ų
- 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
- 4
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 110
物理化学的性質
- 沸点
- 95 · 95-105 °C2 mm Hg(lit.)
- 比重(密度)
- 1.017 g/mL · 1.017 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.529(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- クロロホルム（微量）、メタノール（微量）
- 外見
- 油
- 酸解離定数(Pka)
- 14.75 · 14.75±0.10(Predicted)
- 色
- 無色
- BRN
- 366412 · 366412
- InChI
- InChI=1S/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
- InChIKey
- WOUANPHGFPAJCA-UHFFFAOYSA-N
- SMILES
- C(O)CN(C)CC1=CC=CC=C1
- CAS データベース
- 101 · 101-98-4(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · Ethanol, 2-[methyl(phenylmethyl)amino]-(101-98-4)
- EPAの化学物質情報
- 2 · Ethanol, 2-[methyl(phenylmethyl)amino]- (101-98-4)
化学的性質
clear yellowish liquid
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
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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
REACH registered substance: 2-(benzylmethylamino)ethanol (EC: 202-994-3)
Ethanol, 2-methyl(phenylmethyl)amino-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2922199090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-24/25
- 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
用途と製造
General Manufacturing InformationEthanol, 2-[methyl(phenylmethyl)amino]-: ACTIVE
応用分野
説明N-Benzyl-N-methylethanolamine is a surfactant that has a high capacity for adsorbing proteins. It is used as an efficient method to remove impurities from human immunoglobulin preparations and as an adsorbent in chromatographic methods. N-Benzyl-N-methylethanolamine has also been used as a diagnostic agent for the detection of chromatographically separated monoclonal antibodies, which are produced by activated B cells in culture. The antibody binds to the target protein and then the antibody-protein complex is isolated using a particle agglomeration technique. This method can be repeated multiple times and produce high concentrations of pure monoclonal antibodies.
使用2-[Methyl(phenylmethyl)amino]ethanol is used in the preparation of dihydropyrimidinones as sodium iodide symporter inhibitors used to regulate the accumulation of iodide in the thyroid gland. Also used in the synthesis of new class of pseudopeptides as potential inhibitors of β-sheet aggregation.
一般的な説明N-Benzyl-N-methylethanolamine is a tertiary benzylamine. Electrochemical alkoxylation of N-benzyl-N-methylethanolamine is reported. Rate of proton exchange of N-benzyl-N-methylethanolamine in aqueous HCl has been reported.
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