AG0039S9

121-54-0 | Benzethonium Chloride

AG0039S9

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CAS Number	121-54-0
Catalog Number	AG0039S9(AGN-PC-0PFO1O)
Chemical Name	Benzethonium Chloride
IUPAC Name	benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride
InChI	InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
InChI Key	UREZNYTWGJKWBI-UHFFFAOYSA-M
MDL Number	MFCD00149978
Molecular Formula	C27H42ClNO2
Molecular Weight	448.0809
RTECS Number	BO7175000
SMILES	[Cl-].C(C1=CC=CC=C1)[N+](CCOCCOC1=CC=C(C=C1)C(C)(CC(C)(C)C)C)(C)C
UNII	PH41D05744
Synonyms	Bencetonium Chloride, Benzethonium, Benzethonium Chloride, Chloride, Bencetonium, Chloride, Benzethonium, Formula Magic, Hyamine 1622, Magic, Formula, Orchid Fresh II, Phemeride, Phemerol, Phemethryn, Puri Clens, Puri-Clens, PuriClens, Quatrachlor, Solamin, benzethonium chloride, 121-54-0, Phemeride, Quatrachlor, Hyamine, Benzethoniumchloride, Phemerol Chloride, Hyamine 1622, Phemithyn, Disilyn, Kylacol, Solamin, Diapp, Polymine D, Benzetonium chloride, Anti-germ 77, Benzethonii chloridum, Antiseptol, Banagerm, Cloruro de benzetonio, Chlorure de benzethonium, Benzetonio cloruro, Benzethoni chloridum, Inactisol, Benzethonium chloride 1622, Microklenz, MFCD00011742, UNII-PH41D05744, p-tert-Octylphenoxyethoxyethyldimethylbenzylammonium chloride, Formula 144, Benzethonium chloride, 97%, Phemerol chloride monohydrate, Caswell No. 614B, Diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride, Diisobutylphenoxyethoxyethyldimethyl benzyl ammonium chloride, CHEBI:31264, BZT (VAN), Benzetonio cloruro [DCIT], benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride, CCRIS 4748, HSDB 567, PH41D05744, Antiseptol (quarternary compound), Phemersol chloride, Benzethonii chloridum [INN-Latin], NCI-C61494, p-Diisobutyl phenoxyethoxyethyl dimethyl benzylammonium chloride, EINECS 204-479-9, (2-(2-(4-Diisobutylphenoxy)ethoxy)ethyl)dimethylbenzylammonium chloride, Cloruro de benzetonio [INN-Spanish], DSSTox_CID_3810, NSC 20200, Benzyldimethyl-p-(1,1,3,3-tetramethylbutyl)phenoxyethoxy-ethylammonium chloride, Chlorure de benzethonium [INN-French], EPA Pesticide Chemical Code 069154, DSSTox_RID_77195, DSSTox_GSID_23810, 5929-09-9, N,N-Dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-benzenemethanaminium chloride, QAC, Diisobutyl phenoxy ethoxy ethyl dimethyl benzyl ammonium chloride, p-Diisobutyl(phenoxyethoxy)ethyl]dimethylbenzylammonium chloride, Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride, p-Diisobutylphenoxyethoxyethyldimethylbenzylammonium chloride monohydrate, 2-(2-(p-(Diisobutyl)phenoxy)ethoxy)ethyl dimethyl benzyl ammonium chloride, CHEMBL221753, Benzyldimethyl (2-(2-(p-(1,1,3,3-Tetramethylbutyl) Phenoxy) Ethoxy) Ethyl) Ammonium Chloride, Benzyldimethyl(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium chloride, Benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium chloride, Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride, monohydrate, Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride (1:1), N-benzyl-N,N-dimethyl-2-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethanaminium chloride, NSC20200, Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride, SR-05000001572, NCGC00016373-03, CAS-121-54-0, Salanine, Neostelin green, [2-[2-(4-Diisobutylphenoxy)ethoxy]ethyl]dimethylbenzylammonium chloride, {2-[2-(4-diisobutylphenoxy)ethoxy]ethyl}dimethylbenzylammonium chloride, benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride, benzyldimethyl(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)ammonium chloride, benzyldimethyl(2-{2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)ammonium chloride, Microklenz (TN), Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride (1:1), N,N-dimethyl-N-(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)-benzenemethanaminium chloride, N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium chloride, Prestwick_995, benzethonium-chloride, Hyamine (TN), p-Diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride, Neostelin green (TN), Benzethonium chloride [USP:INN:BAN:JAN], Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)- ethyl)-, chloride, N,N-Dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)- ethyl)benzenemethanaminium chloride, EC 204-479-9, AC1L1R2Y, C27H42ClNO2, SCHEMBL21713, MLS002153968, AE>> UEthOONoi section sign, ARONIS24565, SPECTRUM1500138, DTXSID6023810, HMS502G17, KS-00000UZH, UREZNYTWGJKWBI-UHFFFAOYSA-M, HMS1570M17, HMS1920G07, HMS2091M09, HMS2097M17, HMS2230M22, HMS3373H09, HMS3652D03, HMS3714M17, Pharmakon1600-01500138, BENZETHONIUM CHLORIDE, 98%, HY-B0942, KS-000046VJ, Tox21_110403, Tox21_202488, CCG-39713, NSC-20200, NSC755908, s4162, AKOS005287417, Tox21_110403_1, ACN-034828, MCULE-8602828714, NE18983, NSC-755908, RL00966, Benzethonium chloride (JP17/USP/INN), benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride, NCGC00016373-08, NCGC00091528-01, NCGC00091528-02, NCGC00094597-01, NCGC00094597-02, NCGC00094597-03, NCGC00094597-04, NCGC00260037-01, AK402207, AS-14646, BC675287, LS-16821, M019, SC-20328, SMR001233307, AB1011453, B0044, FT-0622657, FT-0635910, Hyamine(R) 1622 solution, 4 mM in H2O, SW197077-3, A13653, Benzethonium chloride, tested according to USP, C12539, D01140, Benzethonium chloride, BioUltra, >=99.0% (AT), I06-1604, J-200196, SR-05000001572-1, SR-05000001572-3, F2173-1223, Z1317839149, Benzethonium chloride, >=97% (titration), >=98% (HPLC), [Diisobutyl(phenoxyethoxy)ethyl]dimethylbenzylammonium chloride, [[(Diisobutyl)phenoxyethoxyethyl]dimethylbenzyl]ammonium chloride, [[(Diisobutylphenoxy)ethoxy]ethyl] dimethyl benzyl ammonium chloride, Ammonium,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride, Ammonium,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-,chloride, (Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride; Hyamine? 1622, Benzethonium chloride, European Pharmacopoeia (EP) Reference Standard, Benzethonium chloride, United States Pharmacopeia (USP) Reference Standard, Benzethonium Chloride, Pharmaceutical Secondary Standard; Certified Reference Material, Benzyldimethyl-[[[p-(1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium chloride, Benzyldimethyl[2-[2-[4-(1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium chloride, Benzyldimethyl[2-[2-[p-(1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]ammonium chloride, WLN: 1X1 & 1 & 1X1 & 1 & R DO2O2K1 & 1 & 1R & Q & G, Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride, monohydrate, Benzenemethanaminium,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride, N-benzyl-N,N-dimethyl-2-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethan-1-aminium chloride, N-benzyl-N,N-dimethyl-2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanaminium chloride, UEth>>u paragraph signthorn(1/4)x>>u[2-[2-[4-(1,1,3,3-EA(1/4)x>>u paragraph sign inverted exclamation mark>>u)+/-(1/2)No>>u]OONo>>u]OO>>u]AE>> i section sign EUO masculine, benzethonium, Solamine, Sanizol, Phemerol, Phemethryn, PuriClens, Formula Magic, Puri Clens, Puri-Clens, Magic, Formula, Orchid Fresh II, Bencetonium Chloride, Chloride, Bencetonium, Chloride, Benzethonium, Benzethonium chloride monohydrate, C27H42NO2.Cl, C27-H42-N-O2.Cl, BMN 673, CID8478, Benzethonium chloride, 97% 100g, NA8027, CS-4415, Benzethonium chloride [USAN:BAN:INN:JAN], Benzethonium chloride [USAN:INN:BAN:JAN], B1674, Benzethonium chloride, 97% - 100G 100g, Hyamine 1622 99% For Tenside Test 25gm, Benzethonium chloride (<lt/> 0.0056 mol/l), D001558, BZT, (diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride, benzyldimethyl[2-[2-(p-1,1,3,3-tetramethylbutylphenoxy)ethoxy]ethyl]ammonium chloride, Hyamine 1622 Solution 0.004M (0.004N) standardized solution traceable to NIST 1ltr, 1313-08-2, 8001-54-5, Bencenometanaminio, N,N-dimetil-N-[2-[2-[4-(1,1,3,3-tetrametilbutil) fenoxi] etoxi] etil]-, cloruro (1:1), Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-( 1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride, Benzenemethanaminium, N,N-dimethyl-N-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethyl]-, chloride,

Complexity	466
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	447.29g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	448.088g/mol
Monoisotopic Mass	447.29g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code	UN 1759

Certificate of Analysis

Lot Number