N-Benzyl-N-methylethanolamine (HCID 66876)

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

N-Benzyl-N-methylethanolamine101-98-4Ethanol, 2-[methyl(phenylmethyl)amino]-2-(Benzylmethylamino)ethanolN-Methyl-N-benzylethanolamineEthanol, 2-(benzylmethylamino)-N-Benzyl-N-methyl-ethanolamineEthanol, 2-(methyl(phenylmethyl)amino)-N-benzyl-N-methyl-2-aminoethanol61LYX8089CEINECS 202-994-3AI3-26797

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 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: 4
重原子数: 12
形式電荷: 0
複雑度: 110

実験および物理化学的性質

Kovats Retention Index1328.7

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

化学的特性clear yellowish liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): 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 46 reports by companies from 6 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 · 2 件

Status: Active Update: 26-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20045

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%)；Eye Irrit. 2 (97.8%)；STOT SE 3 (97.8%)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 26-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20045

Ethanol, 2-methyl(phenylmethyl)amino-: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 29214990
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 · 3 件

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.