N-Benzyl-N-methylethanolamine (HCID 66876)

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

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

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 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 110

실험 및 물리화학적 성질

Kovats Retention Index1328.7

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

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

규제 정보

Regulatory Information · 2건

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

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 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
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanol, 2-[methyl(phenylmethyl)amino]-: ACTIVE

응용 분야 · 3건

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.