N-Benzyl-N-methylethanolamine
Ethanol, 2-(benzylmethylamino)- · N-Benzyl-N-methyl-2-aminoethanol · N-Benzyl-N-methylethanolamine,90% · 2-[BENZYL(METHYL)AMINO]ACETALDEHYDE · 2-[methyl(phenylmethyl)amino]-ethano · N-Benzyl-N-Methyl · Nicardipine Impurity87 · Nicardipine Impurity 6
식별자 및 물리적 특성
| CAS No. | 101-98-4 |
|---|---|
| 분자식 | C10H15NO |
| 평균 분자량 | 165.23 g/mol |
| 단동위원소 질량 | 165.1153641 g/mol |
| SMILES | CN(CCO)Cc1ccccc1 |
| InChIKey | WOUANPHGFPAJCA-UHFFFAOYSA-N |
| PubChem CID | 66876 |
| EC No. | 202-994-3 |
| DTXSID | DTXSID5059242 |
화학 및 물리적 성질
| XLogP | 1.3 |
|---|---|
| 극성 표면적 | 23.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 110 |
| Kovats Retention Index | 1328.7 |
| 끓는 점 | 95-105 °C2 mm Hg(lit.) |
| 밀도 | 1.017 g/mL at 25 °C(lit.) |
| 굴절률 | n20/D 1.529(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 클로로포름(약간 용해됨), 메탄올(약간 용해됨) |
| 물리적 상태 | 기름 |
| pKa(산도 계수) | 14.75±0.10(Predicted) |
| 색상 | 무색 |
| BRN | 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 |
| NIST | Ethanol, 2-[methyl(phenylmethyl)amino]-(101-98-4) |
| EPA | Ethanol, 2-[methyl(phenylmethyl)amino]- (101-98-4) |
화학적 성질
clear yellowish liquid
안전 및 규제
| GHS 분류 | WarningH315 (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 exposureRespiratory 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. |
|---|---|
| 규제 정보 | Status: Active Update: 26-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20045Ethanol, 2-methyl(phenylmethyl)amino-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (97.8%)STOT SE 3 (97.8%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29214990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39-24/25 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 10 - Combustible liquids |
용도
개요
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.
용도
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.
일반 설명
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.