Product Name

  • Name

    1-Butyl-1-methylpyrrolidinium bromide

  • EINECS 200-144-5
  • CAS No. 93457-69-3
  • Article Data42
  • CAS DataBase
  • Density
  • Solubility
  • Melting Point 490℃
  • Formula C9H20N.Br
  • Boiling Point
  • Molecular Weight 222.168
  • Flash Point
  • Transport Information
  • Appearance
  • Safety 36/37
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 93457-69-3 (1-Butyl-1-methylpyrrolidinium bromide)
  • Hazard Symbols HarmfulXn
  • Synonyms Pyrrolidinium, 1-butyl-1-methyl-, bromide (1:1);Pyrrolidinium, 1-butyl-1-methyl-, bromide;
  • PSA 0.00000
  • LogP -1.01030

1-Butyl-1-methylpyrrolidinium bromide 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

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