The Octyltrimethylammonium chloride, with the CAS registry number 10108-86-8, is also known as N-Octyltrimethylammonium Chloride and 1-Octanaminium, N,N,N-trimethyl-, chloride. It belongs to the product categories of Ammonium Chlorides (Quaternary); Quaternary Ammonium Compounds. This chemical's molecular formula is C11H26ClN and formula weight is 207.78. What's more, both its IUPAC name and systematic name are the same which is called Trimethyl(octyl)azanium chloride. This chemical is white powder.
Physical properties about this chemical are: (1)ACD/LogP: -1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.05; (4)ACD/LogD (pH 7.4): -1.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.38; (8)ACD/KOC (pH 7.4): 6.38; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 0 Å2.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It can irritate to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, pleaser wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCC[N+](C)(C)C.[Cl-]
(2)InChI: InChI=1S/C11H26N.ClH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: AQZSPJRLCJSOED-UHFFFAOYSA-M
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