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

Base Information

• Chemical Name: Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-M-tolyl)oxy)ethoxy)ethyl)ammonium chloride
• CAS No.: 15716-02-6
• Deprecated CAS: 15826-33-2
• Molecular Formula: C28H44 N O2 . Cl
• Molecular Weight: 462.10746
• UNII: Q827QV2C17
• DSSTox Substance ID: DTXSID30872313
• Wikidata: Q27287101
• ChEMBL ID: CHEMBL2356578
• Mol file: 15716-02-6.mol

Synonyms:3-Methylbenzethonium chloride;15716-02-6;UNII-Q827QV2C17;Q827QV2C17;Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-M-tolyl)oxy)ethoxy)ethyl)ammonium chloride;DSSTox_CID_15708;DSSTox_RID_79266;DSSTox_GSID_35708;Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(3-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride;benzyl-dimethyl-[2-[2-[3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride;N-benzyl-N,N-dimethyl-2-(2-(3-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminium chloride;AMMONIUM, BENZYLDIMETHYL(2-(2-((4-(1,1,3,3-TETRAMETHYLBUTYL)-M-TOLYL)OXY)ETHOXY)ETHYL)-, CHLORIDE;Ammonium, benzyldimethyl[2-[2-[[4-(1,1,3,3-tetramethylbutyl)-m-tolyl]oxy]ethoxy]ethyl]-, chloride;Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[3-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride;SCHEMBL1652001;CHEMBL2356578;DTXSID30872313;Tox21_113530;Tox21_301446;Tox21_113530_1;NCGC00016789-06;NCGC00255508-01;FT-0633518;Q27287101;Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(3-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy)ethox;BENZENEMETHANAMINIUM, N,N-DIMETHYL-N-(2-(2-(3-METHYL-4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY)ETHOXY)ETHYL)-, CHLORIDE (1:1)

Chemical Property of Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-M-tolyl)oxy)ethoxy)ethyl)ammonium chloride

Chemical Property:

• PSA: 18.46000
• LogP: 3.38480
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 461.3060573
• Heavy Atom Count: 32
• Complexity: 502

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2)C(C)(C)CC(C)(C)C.[Cl-]