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CAS No.: | 10603-92-6 |
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Name: | TRIMETHYLVINYLAMMONIUM BROMIDE |
Molecular Structure: | |
Formula: | C5H12N.Br |
Molecular Weight: | 166.061 |
Synonyms: | Ammonium,trimethylvinyl-, bromide (8CI);Ethenaminium, N,N,N-trimethyl-, bromide (9CI);Trimethylvinylammonium bromide (7CI);Neurine bromide; |
EINECS: | 234-227-3 |
Melting Point: | 192-193 °C (decomp) |
PSA: | 0.00000 |
LogP: | -2.15990 |
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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 |
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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. |