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1-Pentanaminium,N,N,N-tripentyl-, iodide (1:1)

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Name

1-Pentanaminium,N,N,N-tripentyl-, iodide (1:1)

EINECS 219-688-0
CAS No. 2498-20-6 Density
Solubility Melting Point 134-137 °C


Formula C20H44IN Boiling Point
Molecular Weight 425.47 Flash Point
Transport Information Appearance
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 2498-20-6 (1-Pentanaminium,N,N,N-tripentyl-, iodide (1:1)) Hazard Symbols IrritantXi
Synonyms

Tetraamylammonium Iodide;N,N,N-Tripentylpentan-1-aminium iodide;

 

1-Pentanaminium,N,N,N-tripentyl-, iodide (1:1) Specification

The 1-Pentanaminium,N,N,N-tripentyl-, iodide (1:1), with the CAS registry number 2498-20-6, is also known as Tetraamylammonium Iodide. Its EINECS number is 219-688-0. It belongs to the product categories of Ammonium Iodides (Quaternary); Quaternary Ammonium Compounds. This chemical's molecular formula is C20H44IN and molecular weight is 425.47. What's more, its systematic name is N,N,N-Tripentylpentan-1-aminium iodide. It is stable at common pressure and temperature. What's more, it should be protected from oxides, light and water.

Physical properties of 1-Pentanaminium,N,N,N-tripentyl-, iodide (1:1) are: (1)ACD/LogP: -0.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.47; (4)ACD/LogD (pH 7.4): -0.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.23; (8)ACD/KOC (pH 7.4): 13.23; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 0 Å2.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC[N+](CCCCC)(CCCCC)CCCCC.[I-]
(2)InChI: InChI=1S/C20H44N.HI/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: FBLZDUAOBOMSNZ-UHFFFAOYSA-M

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