- 1-Butyl-1-methylpyrrolidinium bromide
- 1-Butyl-1-methylpyrrolidinium chloride
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| Name |
1-Butyl-1-methylpyrrolidinium chloride |
EINECS | N/A |
| CAS No. | 479500-35-1 | Density | N/A |
| PSA | 0.00000 | LogP | -1.01030 |
| Solubility | Soluble in water | Melting Point |
124 °C |
| Formula | C9H20ClN | Boiling Point | N/A |
| Molecular Weight | 177.717 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
pyrrolidinium, 1-butyl-1-methyl-, chloride (1:1);1-butyl-1-methyl-2,3,4,5-tetrahydropyrrole Chloride; |
1-Butyl-1-methylpyrrolidinium chloride Specification
The 1-Butyl-1-methylpyrrolidinium chloride with the CAS number 479500-35-1 is also called pyrrolidinium, 1-butyl-1-methyl-, chloride (1:1). The IUPAC name is 1-butyl-1-methylpyrrolidin-1-ium chloride. It is molecular formula is C9H20ClN. This chemical belongs to the following product categories: (1)Ammonium Chlorides (Quaternary); (2)Quaternary Ammonium Compounds; (3)Chemical Synthesis; (4)Ionic Liquids; (5)Pyrrolidinium.
Properties Computed from Structure: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 1; (3)Rotatable Bond Count: 3; (4)Exact Mass: 177.128427; (5)MonoIsotopic Mass: 177.128427; (6)Topological Polar Surface Area: 0; (7)Heavy Atom Count: 11; (8)Formal Charge: 0; (9)Complexity: 92.9; (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: [Cl-].CCCC[N+]1(CCCC1)C
(2)InChI: InChI=1/C9H20N.ClH/c1-3-4-7-10(2)8-5-6-9-10;/h3-9H2,1-2H3;1H/q+1;/p-1
(3)InChIKey: BOOXKGZZTBKJFE-REWHXWOFAN
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