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5579-84-0

Basic Information
CAS No.: 5579-84-0
Name: Betahistine dihydrochloride
Article Data: 2
Molecular Structure:
Molecular Structure of 5579-84-0 (Betahistine dihydrochloride)
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
Synthetic route
5638-76-6

betahistine

5579-84-0

[3H]-Betahistine dihydrochloride

Conditions
ConditionsYield
With hydrogenchloride In isopropyl alcohol pH=2;
With hydrogenchloride In water; isopropyl alcohol at 0 - 10℃; pH=2;
109-06-8

α-picoline

5579-84-0

[3H]-Betahistine dihydrochloride

Conditions
ConditionsYield
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
103-74-2

2-(2-Hydroxyethyl)pyridine

5579-84-0

[3H]-Betahistine dihydrochloride

Conditions
ConditionsYield
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
942-93-8

5-Chloro-1-phenyl-1-pentanone

5579-84-0

[3H]-Betahistine dihydrochloride

1032445-64-9

C19H24N2O

Conditions
ConditionsYield
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
ConditionsYield
With ammonium chloride In toluene at 85 - 86℃; for 60h;65%
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    Product Name: Betahistine dihydrochloride Synonyms: BetahistineHCl;n-methyl-2-pyridineethanamindihydrochloride;Methyl[2-(2-pyridyl)ethyl]amine 2HCl;N-methyl-2-(2-pyridinyl)ethanamine dihydrochloride;METHYL(2-[2-PYRIDYL]ETHYL)AMINE;METHYL[2-(2-P

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    factory?direct?saleAppearance:White Powder Storage:Store In Dry, Cool And Ventilated Place Package:25kg/drum, also according to the clients requirement Application:It is widely used as a thickener, emulsifier and stabilizer Transportation:By Sea Or B

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    Product name: Betahistine Dihydrochloride CAS No.: 5579-84-0 Molecule Formula:C8H14Cl2N2 Molecule Weight:209.12 Purity: 99.0% Package: 10kg/drum Description:White to slightly yellow crystalline powder Manufacture Standards:USP/BP/EP

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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