DIETHYLAMINE HYDROBROMIDE

The Diethylammonium bromide, with the CAS registry number 6274-12-0, is also known as Ethanamine, N-ethyl-,hydrobromide (1:1). It belongs to the product categories of Pharmaceutical Intermediates; Amine Salts; Nitrogen Compounds; Organic Building Blocks. Its EINECS number is 228-466-2. This chemical's molecular formula is C₄H₁₂BrN and molecular weight is 154.05. What's more, its IUPAC name is N-ethylethanamine hydrobromide. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from light.

Physical properties of Diethylammonium bromide are: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.46; (4)ACD/LogD (pH 7.4): -2.28; (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: 1; (11)#Freely Rotating Bonds: 2; (12)Flash Point: 23.1 °C; (13)Enthalpy of Vaporization: 29.06 kJ/mol; (14)Boiling Point: 57.3 °C at 760 mmHg; (15)Vapour Pressure: 218 mmHg at 25°C.

Preparation of Diethylammonium bromide: this chemical can be prepared by (2-Allylphenyl)bis(diethylamino)phosphan at the temperature of -80 °C. This reaction will need reagent HBr and solvent petroleum ether with the reaction time of 3 hours. The yield is about 60%.

Uses of Diethylammonium bromide: it can be used to produce C₁₆H₂₃NO·BrH by heating. It will need reagent HBr gas and solvent acetonitrile with the reaction time of 12 hours. The yield is about 20%.

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 and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCNCC.Br
(2)InChI: InChI=1S/C4H11N.BrH/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H
(3)InChIKey: AATGHKSFEUVOPF-UHFFFAOYSA-N