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| CAS No.: | 36475-47-5 |
|---|---|
| Name: | 3-METHYLHISTAMINE DIHYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C6H13Cl2N3 |
| Molecular Weight: | 198.095 |
| Synonyms: | 2-(1-methyl-1H-imidazol-5-yl)ethanamine dihydrochloride; |
| Density: | 1.38 g/cm3 |
| Melting Point: | 268-270 °C |
| Boiling Point: | 353.3 °C at 760 mmHg |
| Flash Point: | 167.5 °C |
| Appearance: | Off-white to pale yellow solid |
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Specification
The 1H-Imidazole-5-ethanamine,1-methyl-, hydrochloride (1:2), with the CAS registry number 36475-47-5, has the systematic name of 2-(1-methyl-1H-imidazol-5-yl)ethanamine dihydrochloride. It is a kind of off-white to pale yellow solid, and belongs to the following product categories: Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives; Intermediates. And the molecular formula of the chemical is C6H13Cl2N3. What's more, it is a kind of useful synthetic intermediate in the preparations of farnesyl protein transferase, and it should be stored at 2-8°C.
The characteristics of 1H-Imidazole-5-ethanamine,1-methyl-, hydrochloride (1:2) are as followings: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 21.06 Å2; (6)Flash Point: 167.5 °C; (7)Enthalpy of Vaporization: 61 kJ/mol; (8)Boiling Point: 353.3 °C at 760 mmHg; (9)Vapour Pressure: 2.53E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.Cl.n1cc(n(c1)C)CCN
(2)InChI: InChI=1/C6H11N3.2ClH/c1-9-5-8-4-6(9)2-3-7;;/h4-5H,2-3,7H2,1H3;2*1H
(3)InChIKey: KWEIZIDNCJBKIY-UHFFFAOYAA