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Name	Dimethyl(2-hydroxyethyl)octyl-ammonium bromide benzilate	EINECS	N/A
CAS No.	2019-14-9	Density	g/cm³
PSA	N/A	LogP	N/A
Solubility	N/A	Melting Point	N/A
Formula	C26H38 N O3 . Br	Boiling Point	°Cat760mmHg
Molecular Weight	492.56	Flash Point	°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NO_x, NH₃, and Br⁻.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	(2-Hydroxyethyl)dimethyloctylammoniumbromide, benzilate (6CI,7CI); 1-Octanaminium,N-[2-[(hydroxydiphenylacetyl)oxy]ethyl]-N,N-dimethyl-, bromide (9CI); Ammonium,(2-hydroxyethyl)dimethyloctyl-, bromide, benzilate (8CI); Benzilic acid, esterwith (2-hydroxyethyl)dimethyloctylammonium bromide; N,N-Dimethyl-N-n-octyl-N-(b-diethyl benzilate)ammoniumbromide

Dimethyl(2-hydroxyethyl)octyl-ammonium bromide benzilate Chemical Properties

Molecule structure of Dimethyl(2-hydroxyethyl)octyl-ammonium bromide benzilate (CAS NO.2019-14-9) :

IUPAC Name: 2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl-dimethyl-octylazanium bromide
Molecular Weight: 492.48882 g/mol
Molecular Formula: C₂₆H₃₈BrNO₃
H-Bond Donor: 1
H-Bond Acceptor: 4
Rotatable Bond Count: 14
Exact Mass: 491.203507
MonoIsotopic Mass: 491.203507
Topological Polar Surface Area: 46.5
Heavy Atom Count: 31
Complexity: 461
Canonical SMILES: CCCCCCCC[N+](C)(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Br-]
InChI: InChI=1S/C26H38NO3.BrH/c1-4-5-6-7-8-15-20-27(2,3)21-22-30-25(28)26(29,23-16-11-9-12-17-23)24-18-13-10-14-19-24;/h9-14,16-19,29H,4-8,15,20-22H2,1-3H3;1H/q+1;/p-1
InChIKey of Dimethyl(2-hydroxyethyl)octyl-ammonium bromide benzilate (CAS NO.2019-14-9) : JVFBRWHIOQXBFW-UHFFFAOYSA-M

Dimethyl(2-hydroxyethyl)octyl-ammonium bromide benzilate Toxicity Data With Reference

1.	orl-mus LD50:1150 mg/kg	TXAPA9 Toxicology and Applied Pharmacology. 5 (1963),225.
2.	ipr-mus LD50:104 mg/kg	TXAPA9 Toxicology and Applied Pharmacology. 5 (1963),225.
3.	scu-mus LD50:850 mg/kg	TXAPA9 Toxicology and Applied Pharmacology. 5 (1963),225.
4.	ivn-mus LD50:17,500 µg/kg	TXAPA9 Toxicology and Applied Pharmacology. 5 (1963),225.

Dimethyl(2-hydroxyethyl)octyl-ammonium bromide benzilate Safety Profile

Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NO_x, NH₃, and Br⁻.

Dimethyl(2-hydroxyethyl)octyl-ammonium bromide benzilate Specification

Dimethyl(2-hydroxyethyl)octyl-ammonium bromide benzilate (CAS NO.2019-14-9) is also called (2-Benziloxyethyl) imethyloctylammonium bromide ; Benzilsaeure-dimethyl-octyl-ammonium-aethylester bromide ; Benzilsaeure-dimethyl-octyl-ammonium-aethylester bromide [German] ; (2-(Hydroxydiphenylacetoxy)ethyl)dimethyloctylammonium bromide ; Ammonium, dimethyl(2-hydroxyethyl)octyl-, bromide, benzilate .

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