CAS No.4328-13-6,TETRA-N-HEXYLAMMONIUM BROMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4328-13-6
Name:	TETRA-N-HEXYLAMMONIUM BROMIDE

Formula:	C₂₄H₅₂BrN
Molecular Weight:	434.588
Synonyms:	1-Hexanaminium,N,N,N-trihexyl-, bromide (9CI);Ammonium, tetrahexyl-, bromide (8CI);
EINECS:	224-363-1
Density:	1.0628 (rough estimate)
Melting Point:	99-100 °C(lit.)
Appearance:	white to faintly yellow powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	0.00000
LogP:	5.12840

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Specification

The 1-Hexanaminium,N,N,N-trihexyl-, bromide (1:1), with the CAS registry number 4328-13-6, is also known as N,N,N-Trihexyl-1-hexanaminium bromide. It belongs to the product categories of Ammonium Bromides (Quaternary); Quaternary Ammonium Compounds; Ammonium Greener Alternatives: Catalysis; Chemical Synthesis; Ionic Liquids; Ammonium Salts; Greener Alternatives: Catalysis; Phase Transfer Catalysts; AnionicHPLC; Chromatography/CE Reagents; Ion Pair; Ion Pair Reagents; Ion Pair Reagents - Anionic. Its EINECS registry number is 224-363-1. This chemical's molecular formula is C₂₄H₅₂BrN and molecular weight is 434.58. What's more, its systematic name is called N,N,N-Trihexylhexan-1-aminium bromide. It is white to faintly yellow powder.

Physical properties about 1-Hexanaminium,N,N,N-trihexyl-, bromide (1:1) are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.48; (6)ACD/BCF (pH 7.4): 3.48; (7)ACD/KOC (pH 5.5): 85.02; (8)ACD/KOC (pH 7.4): 85.02; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 20; (12)Polar Surface Area: 0 Å².

Uses of 1-Hexanaminium,N,N,N-trihexyl-, bromide (1:1): it is used to produce other chemicals. For example, it is used to produce 1-Bromo-propane. The reaction occurs with reagent Benzene at temperature of 80 °C. The yield is 96 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: [Br-].C(C[N+](CCCCCC)(CCCCCC)CCCCCC)CCCC
(2) InChI: InChI=1/C24H52N.BrH/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1
(3) InChIKey: SYZCZDCAEVUSPM-REWHXWOFAC