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| CAS No.: | 93457-69-3 |
|---|---|
| Name: | 1-Butyl-1-methylpyrrolidinium bromide |
| Molecular Structure: | |
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|
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| Formula: | C9H20N.Br |
| Molecular Weight: | 222.168 |
| Synonyms: | Pyrrolidinium, 1-butyl-1-methyl-, bromide (1:1);Pyrrolidinium, 1-butyl-1-methyl-, bromide; |
| EINECS: | 200-144-5 |
| Melting Point: | 490℃ |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22 |
| Safety: | 36/37 |
| PSA: | 0.00000 |
| LogP: | -1.01030 |
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Specification
The Pyrrolidinium, 1-butyl-1-methyl-, bromide with CAS registry number of 93457-69-3 is also known as Pyrrolidinium, 1-butyl-1-methyl-, bromide (1:1). The systematic name is 1-Butyl-1-methylpyrrolidinium bromide. It belongs to product categories of Chemical Synthesis; Ionic Liquids; Pyrrolidinium. In addition, the formula is C9H20N.Br and the molecular weight is 222.17. As a chemical, it is harmful if swallowed. During using it, wear suitable protective clothing and gloves.
Physical properties about Pyrrolidinium, 1-butyl-1-methyl-, bromide are: (1)ACD/LogP: -1.74; (2)ACD/LogD (pH 5.5): -1.74; (3)ACD/LogD (pH 7.4): -1.74; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.68; (7)ACD/KOC (pH 7.4): 2.68.
You can still convert the following datas into molecular structure:
1. SMILES: [Br-].CCCC[N+]1(C)CCCC1
2. InChI: InChI=1/C9H20N.BrH/c1-3-4-7-10(2)8-5-6-9-10;/h3-9H2,1-2H3;1H/q+1;/p-1
3. InChIKey: LCZRPQGSMFXSTC-REWHXWOFAA
4. Std. InChI: InChI=1S/C9H20N.BrH/c1-3-4-7-10(2)8-5-6-9-10;/h3-9H2,1-2H3;1H/q+1;/p-1
5. Std. InChIKey: LCZRPQGSMFXSTC-UHFFFAOYSA-M