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| CAS No.: | 37743-18-3 |
|---|---|
| Name: | 3,3-Diphenyltetrahydrofuran-2-ylidene(dimethyl)ammonium bromide |
| Article Data: | 11 |
| Molecular Structure: | |
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|
|
| Formula: | C18H20NO.Br |
| Molecular Weight: | 346.267 |
| Synonyms: | Methanaminium,N-(dihydro-3,3-diphenyl-2(3H)-furanylidene)-N-methyl-, bromide (9CI);Dimethyl(tetrahydro-3,3-diphenyl-2-furylidene)ammonium bromide; |
| EINECS: | 253-649-9 |
| Density: | 1.3296 (rough estimate) |
| Melting Point: | 174.2-177.4 °C |
| Solubility: | >500 g/L (20 ºC) |
| Appearance: | white to beige powder |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 68-22 |
| Safety: | 45-36/37 |
| PSA: | 12.24000 |
| LogP: | 0.06760 |
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Specification
The CAS register number of 3,3-Diphenyltetrahydrofuran-2-ylidene(dimethyl)ammonium bromide is 37743-18-3. It also can be called as Dihydro-N,N-dimethyl-3,3-diphenyl-2(3H)-furaniminium bromide and the IUPAC name about this chemical is (3,3-diphenyloxolan-2-ylidene)-dimethylazanium bromide. It belongs to the following product categories, such as Pharmaceutical Intermediates, Heterocycles series and so on.
Physical properties about 3,3-Diphenyltetrahydrofuran-2-ylidene(dimethyl)ammonium bromide are: (1)H-Bond Acceptor: 2; (2)Rotatable Bond Count: 2; (3)Exact Mass: 345.072827; (4)MonoIsotopic Mass: 345.072827; (5)Topological Polar Surface Area: 12.2; (6)Heavy Atom Count: 21; (7)Complexity: 340 ; (8)Covalently-Bonded Unit Count: 2.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it has possible risk of irreversible effects. When you are using it, wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].O3\C(=[N+](\C)C)C(c1ccccc1)(c2ccccc2)CC3
(2)InChI: InChI=1/C18H20NO.BrH/c1-19(2)17-18(13-14-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1
(3)InChIKey: QJPXLCQSAFQCBD-REWHXWOFAG
(4)Std. InChI: InChI=1S/C18H20NO.BrH/c1-19(2)17-18(13-14-20-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12H,13-14H2,1-2H3;1H/q+1;/p-1
(5)Std. InChIKey: QJPXLCQSAFQCBD-UHFFFAOYSA-M