(5-BROMOPENTYL)TRIMETHYLAMMONIUM BROMIDE

The 1-Pentanaminium,5-bromo-N,N,N-trimethyl-, bromide (1:1), with the CAS registry number 15008-33-0, is also known as (5-Bromopentyl)trimethylammonium bromide. It belongs to the product categories of All Aliphatics; Aliphatics; Amines; Miscellaneous Reagents; Ammonium Salts; Greener Alternatives: Catalysis; Phase Transfer Catalysts. This chemical's molecular formula is C₈H₁₉Br₂N and molecular weight is 289.05. What's more, its systematic name is 5-bromo-N,N,N-trimethylpentan-1-aminium bromide. It should be sealed and stored in a cool, ventilated and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of 1-Pentanaminium,5-bromo-N,N,N-trimethyl-, bromide (1:1) are: (1)ACD/LogP: -2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5.

Preparation of 1-Pentanaminium,5-bromo-N,N,N-trimethyl-, bromide (1:1): this chemical can be prepared by 1,5-dibromo-pentane and trimethylamine at the ambient temperature. This reaction will need solvent tetrahydrofuran with the reaction time of 3 days. The yield is about 97%.

Uses of 1-Pentanaminium,5-bromo-N,N,N-trimethyl-, bromide (1:1): it can be used to produce (5-amino-pentyl)-trimethyl-ammonium; dibromide by heating. It will need reagent NH₃ and solvent propan-1-ol. The yield is about 43%.

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)SMILES: [Br-].C[N+](C)(C)CCCCCBr
(2)InChI: InChI=1S/C8H19BrN.BrH/c1-10(2,3)8-6-4-5-7-9;/h4-8H2,1-3H3;1H/q+1;/p-1
(3)InChIKey: GEIHNRASRNQTDE-UHFFFAOYSA-M