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Ethenaminium,N,N,N-trimethyl-, bromide (1:1) (10603-92-6)

Identification
Name:Ethenaminium,N,N,N-trimethyl-, bromide (1:1)
Synonyms:Ammonium,trimethylvinyl-, bromide (8CI);Ethenaminium, N,N,N-trimethyl-, bromide (9CI);Trimethylvinylammonium bromide (7CI);Neurine bromide;
CAS:10603-92-6
EINECS: 234-227-3
Molecular Formula: C5H12N.Br
Molecular Weight: 86.1549
InChI: InChI=1/C5H12N.BrH/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H/q+1;/p-1
Molecular Structure: (C5H12N.Br) Ammonium,trimethylvinyl-, bromide (8CI);Ethenaminium, N,N,N-trimethyl-, bromide (9CI);Trimethylvinyl...
Properties
Flash Point: °C
Boiling Point: °Cat760mmHg
Density:g/cm3
Specification:

The Trimethyl(vinyl)ammonium bromide with the cas number 10603-92-6 is also called Ethenaminium,N,N,N-trimethyl-, bromide (1:1). The IUPAC name is ethenyl(trimethyl)azanium bromide. Its EINECS registry number is 234-227-3. The molecular formula is C5H12N.Br. This chemical belongs to the following product categories: (1)monomer; (2)Ammonium Bromides (Quaternary); (3)Quaternary Ammonium Compounds.

Properties Computed from Structure: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 1; (4)Exact Mass: 165.015312; (5)MonoIsotopic Mass: 165.015312; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 7; (8)Formal Charge: 0; (9)Complexity: 49.4; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].C=C\[N+](C)(C)C
(2)InChI: InChI=1/C5H12N.BrH/c1-5-6(2,3)4;/h5H,1H2,2-4H3;1H/q+1;/p-1
(3)InChIKey: IDVSELVVGYIOEX-REWHXWOFAX

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 52mg/kg (52mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS		 Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 19, Pg. 43, 1967.
mouse LDLo subcutaneous 73mg/kg (73mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 25, Pg. 315, 1925.

Flash Point: °C
Safety Data
 

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