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| CAS No.: | 5579-84-0 |
|---|---|
| Name: | Betahistine dihydrochloride |
| Molecular Structure: | |
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| Formula: | C8H12N2.2ClH |
| Molecular Weight: | 209.119 |
| Synonyms: | 2-Pyridineethanamine, N-methyl-, dihydrochloride (9CI);Pyridine, 2-[2-(methylamino)ethyl]-,dihydrochloride (8CI);2-[2-(Methylamino)ethyl]pyridine dihydrochloride;Betahistine hydrochloride;Betaserc;PT 9;Serc;Sinmenier;Vasomotal;Betahistine Hcl; |
| EINECS: | 226-966-5 |
| Density: | 0.967 g/cm3 |
| Melting Point: | 150-154 °C |
| Boiling Point: | 210.9 °C at 760 mmHg |
| Flash Point: | 96.7 °C |
| Solubility: | soluble in water |
| Appearance: | white to light yellow crystalline powder |
| Safety: | 24/25 |
| PSA: | 24.92000 |
| LogP: | 2.83840 |
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| Conditions | Yield |
|---|---|
| With hydrogenchloride In isopropyl alcohol pH=2; | |
| With hydrogenchloride In water; isopropyl alcohol at 0 - 10℃; pH=2; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 20 h / 125 °C / 3040.2 Torr / Inert atmosphere 2: sodium hydroxide / 2 h / 95 - 100 °C 3: hydrogenchloride / water / 95 - 105 °C 4: hydrogenchloride / water; isopropyl alcohol / 0 - 10 °C / pH 2 View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sodium hydroxide / 2 h / 95 - 100 °C 2: hydrogenchloride / water / 95 - 105 °C 3: hydrogenchloride / water; isopropyl alcohol / 0 - 10 °C / pH 2 View Scheme |
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetonitrile at 80℃; | 78% |
| With potassium carbonate In acetonitrile at 80℃; | 78% |
- 100-69-6
2-vinylpyridine
- 5579-84-0
[3H]-Betahistine dihydrochloride
- 5452-87-9
N-methyl-2-(pyridin-2-yl)-N-(2-(pyridin-2-yl)ethyl)ethanamine
| Conditions | Yield |
|---|---|
| With ammonium chloride In toluene at 85 - 86℃; for 60h; | 65% |
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Specification
The Betahistine dihydrochloride, with the CAS registry number 5579-84-0, is also known as 2-(2-(Methylamino)ethyl)pyridine dihydrochloride. Its EINECS number is 226-966-5. This chemical's molecular formula is C8H12N2.2ClH and molecular weight is 209.12. What's more, its systematic name is N-Methyl-2-(2-pyridinyl)ethanamine dihydrochloride. Its classification code is Vasodilator. When using it, you must avoid contact with skin and eyes. This chemical is an antivertigo drug. It is a histamine analog and H1 receptor agonist that serves as a vasodilator. It is used in meniere disease and in vascular headaches but may exacerbate bronchial asthma and peptic ulcers. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, acids and moisture.
Physical properties of Betahistine dihydrochloride are: (1)ACD/LogP: 0.105; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.99; (4)ACD/LogD (pH 7.4): -2.39; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 16.13 Å2; (13)Flash Point: 96.7 °C; (14)Enthalpy of Vaporization: 44.72 kJ/mol; (15)Boiling Point: 210.9 °C at 760 mmHg; (16)Vapour Pressure: 0.187 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.n1ccccc1CCNC
(2)Std. InChI: InChI=1S/C8H12N2.2ClH/c1-9-7-5-8-4-2-3-6-10-8;;/h2-4,6,9H,5,7H2,1H3;2*1H
(3)Std. InChIKey: XVDFMHARQUBJRE-UHFFFAOYSA-N