Benzethonium chloride structure, CAS 121-54-0

Benzethonium chloride

CAS Number121-54-0

SynonymsSOLAMIN; N-Benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium chloride; inactisol; (Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride,Phemerol chloride; diapp; phemerol Chloride; benzetonium chloride; 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-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanaminium chloride; sanizol; Benzethoniumchloride; HYAMINE 1622, REAG; banagerm; benzethonium chloride; benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride; EINECS 204-479-9; disilyn; Hyamine1622; diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride; phemithyn; MFCD00011742; (Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chl

Molecular FormulaC27H42ClNO2

Molecular Weight448.08

Purity≥97 (titration)%

Density0.998 g/mL at 20 °C

Boiling Point

Melting Point162-164 °C (lit.)

Flash Point

Appearancepowder

EINECS204-479-9

MSDSChineseEnglish

Symbol8

Signal WordWarning

Cat. No.: 2A-9019129 Purity: ≥97 (titration)%
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Quality Control of [ 121-54-0 ] Purity: ≥97 (titration)% SDS Specification MoL

Chemical & Physical Properties
CAS Number121-54-0
Catalog No.2A-9019129
Chinese Name苄索氯铵
SynonymsSOLAMIN; N-Benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium chloride; inactisol; (Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chloride,Phemerol chloride; diapp; phemerol Chloride; benzetonium chloride; 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-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethanaminium chloride; sanizol; Benzethoniumchloride; HYAMINE 1622, REAG; banagerm; benzethonium chloride; benzyldimethyl(2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl)azanium chloride; EINECS 204-479-9; disilyn; Hyamine1622; diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride; phemithyn; MFCD00011742; (Diisobutylphenoxyethoxyethyl)dimethylbenzylammonium chl
Molecular FormulaC27H42ClNO2
Molecular Weight448.08
Purity≥97 (titration)
Density0.998 g/mL at 20 °C
Melting Point162-164 °C (lit.)
Appearancepowder
Water Solubility1-5 g/100 mL at 18 ºC
Storage Condition2. Storage: Store sealed in a dry and dark place.
PackagingIII
ApplicationBenzethonium chloride inhibits nicotinic acetylcholine receptors in human recombinant α7 and α4β2 neurons in Xenopus laevis oocytes.
EINECS204-479-9
HTC2942000000
PubChem ID24892101
MDL NumberMFCD00011742
SMILES[Cl-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1
InChI1S/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 KeyUREZNYTWGJKWBI-UHFFFAOYSA-M
Beilstein/REAXYS3898548
NACRES CodeNA.25
UNSPSC12161900
Hazard Symbols8
MSDSmsds/19129_1_121_54_0.pdf
BioactivityBenzethonium chloride inhibit human recombinant α7 and α4β2 neuronal nicotinic acetylcholine receptors in Xenopus oocytes. Related Catalog Signaling Pathways >> Neuronal Signaling >> AChE Research Areas >> Neurological Disease Chemical & Physical Properties Density 0.998 g/mL at 20 °C Melting Point 162-164 °C(lit.) Molecular Formula C27H42ClNO2 Molecular Weight 448.081 Exact Mass 447.290405 PSA 18.46000 LogP 6.87440 InChIKey UREZNYTWGJKWBI-UHFFFAOYSA-M SMILES CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-] Stability Stability Stable, but hygroscopic. Incompatible with strong oxidizing agents, soap, anionic detergents, nitrates, acids. Light sensitive. Water Solubility 1-5 g/100 mL at 18 ºC
Use ofBenzethonium chloride inhibit human recombinant α7 and α4β2 neuronal nicotinic acetylcholine receptors in Xenopus oocytes. Properties Articles48 Name benzethonium chloride Synonym More Synonyms benzethonium chloride Biological Activity Description Benzethonium chloride inhibit human recombinant α7 and α4β2 neuronal nicotinic acetylcholine receptors in Xenopus oocytes. Related Catalog Signaling Pathways >> Neuronal Signaling >> AChE Research Areas >> Neurological Disease Chemical & Physical Properties Exact Mass 447.290405 PSA 18.46000 LogP 6.87440 InChIKey UREZNYTWGJKWBI-UHFFFAOYSA-M Stability Stability Stable, but hygroscopic. Incompatible with strong oxidizing agents, soap, anionic detergents, nitrates, acids. Light sensitive.
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2923 International Dangerous Regulations for sea transport: 2923 International Dangerous Regulations for air transport: 2923 14.2 United Nations shipping name European Land Transport Dangerous Regulations: CORROSIVE SOLID, TOXIC, N.O.S. (Benzethonium chloride) IMDG Code: CORROSIVE SOLID, TOXIC, N.O.S. (Benzethonium chloride) International air transport hazard regulations: Corrosive solid, toxic, n.o.s. (Benzethonium chloride) 14.3 Transport hazard categories European Land Transport Dangerous Regulations: 8 (6.1) International Maritime Transport Dangerous Regulations: 8 (6.1) International Air Transport Dangerous Regulations: 8 (6.1) 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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