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25351-18-2

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Basic Information
CAS No.: 25351-18-2
Name: 4-Oxo-N,N,N-trimethyl-1-pentaneaminium·iodide
Article Data: 3
Molecular Structure:
Molecular Structure of 25351-18-2 (4-Oxo-N,N,N-trimethyl-1-pentaneaminium·iodide)
Formula: C8H18 N O . I
Molecular Weight: 271.142
Synonyms: 1-Pentanaminium,N,N,N-trimethyl-4-oxo-, iodide (9CI); Ammonium, trimethyl(4-oxopentyl)-, iodide(8CI); Trimethyl(4-oxopentyl)ammonium iodide (6CI); 4-Ketoamyltrimethylammoniumiodide
Hazard Symbols: 3
Safety: Poison by subcutaneous and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx, NH3, and I−. See also KETONES and IODIDES.
PSA: 17.07000
LogP: -1.93420
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    1-Pentanaminium,N,N,N-trimethyl-4-oxo-, iodide (1:1)

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    1-Pentanaminium,N,N,N-trimethyl-4-oxo-, iodide (1:1)

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  • 1-Pentanaminium,N,N,N-trimethyl-4-oxo-, iodide (1:1)

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    1-Pentanaminium,N,N,N-trimethyl-4-oxo-, iodide (1:1)

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Chemistry

Empirical Formula of Trimethyl(4-oxopentyl)ammonium iodide (CAS NO.25351-18-2): C8H18INO
Molecular Weight: 271.1391 g/mol
Structure of Trimethyl(4-oxopentyl)ammonium iodide (CAS NO.25351-18-2):
                        
IUPAC Name: Trimethyl(4-oxopentyl)azanium iodide
Canonical SMILES: CC(=O)CCC[N+](C)(C)C.[I-]
InChI: InChI=1S/C8H18NO.HI/c1-8(10)6-5-7-9(2,3)4;/h5-7H2,1-4H3;1H/q+1;/p-1
InChIKey: NMJFPRRGKVHVRB-UHFFFAOYSA-M

Toxicity Data With Reference

1.    

scu-mus LD50:13.5 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 103 (1951),196.
2.    

ivn-dog LDLo:1085 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 103 (1951),196.

Safety Profile

Poison by subcutaneous and intravenous routes. When heated to decomposition Trimethyl(4-oxopentyl)ammonium iodide (CAS NO.25351-18-2) emits very toxic fumes of NOx, NH3, and I−. See also KETONES and IODIDES.

Specification

 Trimethyl(4-oxopentyl)ammonium iodide , its cas register number is 25351-18-2. It also can be called N-Pentan-4-one-N,N,N-trimethylammonium iodide ; N,N,N-Trimethyl-4-oxo-1-pentanaminium iodide ; and 4-Ketoamyltrimethylammonium iodide .