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| CAS No.: | 636-70-4 |
|---|---|
| Name: | TRIETHYLAMINE HYDROBROMIDE |
| Molecular Structure: | |
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| Formula: | C6H15N.HBr |
| Molecular Weight: | 182.104 |
| Synonyms: | Ethanamine,N,N-diethyl-, hydrobromide (9CI);Triethylamine, hydrobromide (8CI);Triethylammonium bromide;N,N-diethylethanaminium bromide;ethanamine, N,N-diethyl-, hydrobromide (1:1);N,N-Diethylethanaminium bromide;N,N-Diethylethanamine hydrobromide (1:1); |
| EINECS: | 211-263-8 |
| Density: | 1.314[at 20℃] |
| Melting Point: | 246-248 °C |
| Boiling Point: | 90.5 °C at 760 mmHg |
| Flash Point: | >65oC |
| Solubility: | Soluble in water, alcohol and chloroform. |
| Appearance: | white to off-white flakes |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 36/37/39-26-22 |
| PSA: | 3.24000 |
| LogP: | 2.30620 |
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Specification
The Ethanamine,N,N-diethyl-, hydrobromide (1:1), with the CAS registry number 636-70-4 and EINECS registry number 211-263-8, has the systematic name of N,N-diethylethanaminium bromide. It is a kind of white to off-white flakes, and it is also hygroscopic. The molecular formula of this chemical is C6H15N.HBr.
The physical properties of Ethanamine,N,N-diethyl-, hydrobromide (1:1) are as following: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): -1.2; (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: 3; (12)Polar Surface Area: 0 Å2; (13)Enthalpy of Vaporization: 31.01 kJ/mol; (14)Boiling Point: 90.5 °C at 760 mmHg; (15)Vapour Pressure: 56.1 mmHg at 25°C.
Preparation of Ethanamine,N,N-diethyl-, hydrobromide (1:1): This chemical can be prepared by triethylamine and dibromo-nitro-acetonitrile, and the other proudct is Triethylammonium Cyanonitromethylide. The reaction will need the solvent CCl4. The reaction time is 10 minutes with temperature of 25 °C, and the yield is about 5%.
You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].CC[NH+](CC)CC
(2)InChI: InChI=1/C6H15N.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
(3)InChIKey: NRTLTGGGUQIRRT-UHFFFAOYAZ