N-Benzyl-N-methylethanolamine
기본 정보
- CAS
101-98-4- 표준 SMILES
CN(CCO)Cc1ccccc1- InChIKey
WOUANPHGFPAJCA-UHFFFAOYSA-N- 분자식
- C10H15NO
- 평균 분자량
- 165.23 g/mol
- 단동위원소 질량
- 165.1153641
이름 및 식별자
- 우선 이름
- N-Benzyl-N-methylethanolamine
- IUPAC
- 2-[benzyl(methyl)amino]ethanol
- 영어명
- N-Benzyl-N-methylethanolamine
- 분자식
- C10H15NO
- 분자량
- 165.23
이름 및 동의어
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
이름 더 보기
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
데이터베이스 식별자
- CAS
101-98-4- PubChem CID
- 66876
- DTXSID
DTXSID5059242- UNII
- 61LYX8089C
- EC Number
- 202-994-3
- Nikkaji
- J31.140E
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 23.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 110
물리화학적 성질
- 끓는 점
- 95 · 95-105 °C2 mm Hg(lit.)
- 밀도
- 1.017 g/mL · 1.017 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.529(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 14.75 · 14.75±0.10(Predicted)
- 색상
- 무색
- 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
- NIST
- 2 · Ethanol, 2-[methyl(phenylmethyl)amino]-(101-98-4)
- EPA
- 2 · Ethanol, 2-[methyl(phenylmethyl)amino]- (101-98-4)
화학적 성질
clear yellowish liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 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
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing InformationEthanol, 2-[methyl(phenylmethyl)amino]-: ACTIVE
응용 분야
개요N-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.
용도2-[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 설명N-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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하류 제품
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