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benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium

benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium structure

CAS No:
72013-76-4
Formula:
C28H44NO2+
Chemical Name:
benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium
Synonyms:
((((1,1,3,3-tetramethylbutyl)cresoxy)ethoxy)ethyl)dimethylbenzylammonium chloride;Bactine;benzyldimethyl(2-(2-(4-(1,1,3,3- tetramethylbutyl)-tolyloxy)ethoxy)ethyl) ammonium chloride;Diaparene;Hyamine;methylbenzethonium;methylbenzethonium chloride;methylbenzethonium chloride, monohydrate;methylbenzethonium hydroxide;UNII-NJX1653L36;NJX1653L36;Benzyldimethyl(2-(2-((4-(1,1,3,3-tetramethylbutyl)-o-tolyl)oxy)ethoxy)ethyl)ammonium;72013-76-4;Methyl benzethonium chloride;MLS002153966;Methylbenzethonium;SMR001233305;KBio1_000679;Spectrum_001617;Prestwick0_000705;Prestwick1_000705;Prestwick2_000705;Prestwick3_000705;Spectrum2_001544;Spectrum3_001178;Spectrum4_000191;Spectrum5_001247;methylbenzethonium-chloride;BSPBio_000889;BSPBio_002795;KBioGR_000761;KBioSS_002097;DivK1c_000679;SCHEMBL790480;SPBio_001388;SPBio_002810;BPBio1_000979;CHEMBL1314065;BDBM79207;CHEBI:94628;cid_5702238;KBio2_002097;KBio2_004665;KBio2_007233;KBio3_002295;DTXSID20865274;NINDS_000679;ZINC2167075;benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;IDI1_000679;NCGC00016789-01;NCGC00016789-02;NCGC00164393-02;SBI-0051805.P002;AB00053820;AB00053820_10;BRD-K46531780-003-09-8;Q27166449;UNII-K5RRD5G47G component UQOOPIMXBSPVJI-UHFFFAOYSA-N;Benzyldimethyl[2-[2-[2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]aminium;benzyl-dimethyl-[2-[2-[2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium;chloride;dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]-(phenylmethyl)ammonium;chloride;dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]-(phenylmethyl)azanium;chloride;N,N-Dimethyl-N-[2-[2-[2-methyl-4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]benzenemethanaminium

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Description

Dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]-(phenylmethyl)ammonium is an alkylbenzene.

benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium Basic Attributes

Molecular Weight：

426.7 g/mol

Exact Mass：

426.337204646 g/mol

UNII：

NJX1653L36

DSSTox ID：

DTXSID3047976

Characteristics

PSA：

18.5 Å²

XLogP3：

6.3808

Drug Information

MeSH：

Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects. (See all compounds classified as Anti-Infective Agents, Local.)|Substances that are destructive to protozoans. (See all compounds classified as Antiprotozoal Agents.)

MeSH Entry Terms：

((((1,1,3,3-tetramethylbutyl)cresoxy)ethoxy)ethyl)dimethylbenzylammonium chloride

Computed Properties

Molecular Weight:426.7
XLogP3:7.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:12
Exact Mass:426.337204646
Monoisotopic Mass:426.337204646
Topological Polar Surface Area:18.5
Heavy Atom Count:31
Formal Charge:1
Complexity:502
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of benzyl-dimethyl-[2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

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