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15008-33-0

Basic Information
CAS No.: 15008-33-0
Name: (5-BROMOPENTYL)TRIMETHYLAMMONIUM BROMIDE
Article Data: 11
Molecular Structure:
Molecular Structure of 15008-33-0 ((5-BROMOPENTYL)TRIMETHYLAMMONIUM BROMIDE)
Formula: C8H19Br2N
Molecular Weight: 289.054
Synonyms: (5-Bromopentyl)trimethylammoniumbromide (6CI);1-Pentanaminium, 5-bromo-N,N,N-trimethyl-, bromide (9CI);Ammonium, (5-bromopentyl)trimethyl-, bromide (8CI);5-Bromo-N,N,N-trimethylpentan-1-aminium bromide;(5-Bromopentyl)trimethylammonium bromide;
Melting Point: 141-143 °C(lit.)
Appearance: White Solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 0.00000
LogP: -0.73820
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Specification

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%.

1-Pentanaminium,5-bromo-N,N,N-trimethyl-, bromide (1:1) can be prepared by 1,5-dibromo-pentane and trimethylamine at the ambient temperature

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%.

1-Pentanaminium,5-bromo-N,N,N-trimethyl-, bromide (1:1) can be used to produce (5-amino-pentyl)-trimethyl-ammonium; dibromide by heating

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