CAS No.2498-20-6,TETRA-N-PENTYLAMMONIUM IODIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2498-20-6
Name:	TETRA-N-PENTYLAMMONIUM IODIDE

Formula:	C₂₀H₄₄IN
Molecular Weight:	425.481
Synonyms:	Tetraamylammonium Iodide;N,N,N-Tripentylpentan-1-aminium iodide;
EINECS:	219-688-0
Melting Point:	134-137 °C
Appearance:	Liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	0.00000
LogP:	3.56800

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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