Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-o-tolyl)oxy)ethoxy)ethyl)ammonium chloride

HCID 5702238

노트 반응

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기본 정보

CAS: 101912-16-7
표준 SMILES: Cc1cc(C(C)(C)CC(C)(C)C)ccc1OCCOCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIKey: QWZLBLDNRUUYQI-UHFFFAOYSA-M
분자식: C28H44ClNO2
평균 분자량: 462.1 g/mol

개요

Methylbenzethonium chloride is an alkylbenzene.

이름 및 식별자

우선 이름: Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-o-tolyl)oxy)ethoxy)ethyl)ammonium chloride
IUPAC: benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride
영어명: Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride (1:1)
분자식: C28H44ClNO2
분자량: 462.12

이름 및 동의어

Quat20Quat 20UNII-NN7590IUQXNN7590IUQXBenzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-o-tolyl)oxy)ethoxy)ethyl)ammonium chlorideAMMONIUM, BENZYLDIMETHYL(2-(2-((4-(1,1,3,3-TETRAMETHYLBUTYL)-O-TOLYL)OXY)ETHOXY)ETHYL)-, CHLORIDEBENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(2-(2-METHYL-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)-, CHLORIDE (1:1)RefChem:199788101912-16-7Methyl benzethonium chlorideMETHYLBENZETHONIUMCHLORIDEN-Benzyl-N,N-dimethyl-2-(2-(2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminium chloride

이름 더 보기

Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride (1:1)

MFCD00011821benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chlorideBenzenemethanaminium, N,N-dimethyl-N-[2-[2-[methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride (1:1)N-Benzyl-N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethyl-2-pentyl)phenoxy]ethoxy]ethanaminium ChlorideMLS002153966Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chlorideN-BENZYL-N,N-DIMETHYL-2-(2-(2-METHYL-4-(2,4,4-TRIMETHYLPENTAN-2-YL)PHENOXY)ETHOXY)ETHAN-1-AMINIUM CHLORIDESR-05000002081

데이터베이스 식별자

CAS: 101912-16-7、1320-44-1
PubChem CID: 5702238
ChEMBL: CHEMBL1321398
ChEBI: CHEBI:183404
UNII: NN7590IUQX

물성

구조 계산 물성

극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 12
무거운 원자 수: 32
형식 전하: 0
복잡도: 502

실험 및 물리화학적 성질

Collision Cross Section214.8 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

화학 및 산업

공급사2 곳

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]

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