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CAS No.: | 2156-29-8 |
---|---|
Name: | 2-DI-1-ASP |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C16H19N2.I |
Molecular Weight: | 366.245 |
Synonyms: | 2-[p-(Dimethylamino)styryl]-1-methylpyridiniumiodide (7CI);Pyridinium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-methyl-,iodide (9CI);Pyridinium, 2-[p-(dimethylamino)styryl]-1-methyl-, iodide (8CI);2-[4-(Dimethylamino)styryl]-1-methylpyridinium iodide;2-[p-(Dimethylamino)styryl]pyridine methiodide;D 308;D 308 (dye);DASPI;w-(N'-Methylpyridyl-2')-4-dimethylaminostyreneiodide; |
EINECS: | 218-460-8 |
Density: | 1.091g/cm3 |
Melting Point: | 280 °C |
Boiling Point: | 397.8°C at 760 mmHg |
Flash Point: | 179.3°C |
Solubility: | DMSO: soluble |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 7.12000 |
LogP: | -0.24850 |
The IUPAC name of 2-[4-(Dimethylamino)styryl]-1-methylpyridinium iodide is N,N-dimethyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline iodide. With the CAS registry number 2156-29-8, it is also named as Pyridinium, 2-(p-(dimethylamino)styryl)-1-methyl-. iodide. The product's classification codes are Calcium Channel Blockers; Cardiovascular Agents; Coloring Agents; Fluorescent Dyes; Indicators and Reagents; Luminescent Agents; Membrane Transport Modulators. Besides, it is soluble in DMSO, which should be stored in cool and ventilated place at room temperature. In addition, its molecular formula is C16H19N2.I and its molecular weight is 366.24.
The other characteristics of 2-[4-(Dimethylamino)styryl]-1-methylpyridinium iodide can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 3; (4)Exact Mass: 366.059292; (5)MonoIsotopic Mass: 366.059292; (6)Topological Polar Surface Area: 7.1; (7)Heavy Atom Count: 19; (8)Complexity: 264; (9)EINECS: 218-460-8; (10)Melting point: 280 °C.
Preparation of : this chemical can be prepared by 3-(4-Dimethylamino-phenyl)-propenal and 1,2-Dimethyl-pyridinium; iodide.
This reaction needs πperidine and Methanol by heating. The yield is 57 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
(1)SMILES: [I-].c2(\C=C\c1[n+](cccc1)C)ccc(N(C)C)cc2
(2)InChI: InChI=1/C16H19N2.HI/c1-17(2)15-10-7-14(8-11-15)9-12-16-6-4-5-13-18(16)3;/h4-13H,1-3H3;1H/q+1;/p-1
(3)InChIKey: XPOIQAIBZGSIDD-REWHXWOFAV
(4)Std. InChI: InChI=1S/C16H19N2.HI/c1-17(2)15-10-7-14(8-11-15)9-12-16-6-4-5-13-18(16)3;/h4-13H,1-3H3;1H/q+1;/p-1
(5)Std. InChIKey: XPOIQAIBZGSIDD-UHFFFAOYSA-M