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479500-35-1

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Basic Information
CAS No.: 479500-35-1
Name: 1-Butyl-1-methylpyrrolidinium chloride
Molecular Structure:
Molecular Structure of 479500-35-1 (1-Butyl-1-methylpyrrolidinium chloride)
Formula: C9H20ClN
Molecular Weight: 177.717
Synonyms: pyrrolidinium, 1-butyl-1-methyl-, chloride (1:1);1-butyl-1-methyl-2,3,4,5-tetrahydropyrrole Chloride;
Melting Point: 124 °C
Solubility: Soluble in water
Safety: 24/25
PSA: 0.00000
LogP: -1.01030
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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