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| CAS No.: | 53316-51-1 |
|---|---|
| Name: | 4,5-Dimethyl-1H-imidazole hydrochloride |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C5H9ClN2 |
| Molecular Weight: | 132.59 |
| Synonyms: | 1H-Imidazole,4,5-dimethyl-, monohydrochloride (9CI);4,5-Dimethylimidazole hydrochloride; |
| Melting Point: | 305 °C (decomp)(Solv: water (7732-18-5)) |
| Boiling Point: | 305.9 °C at 760 mmHg |
| Flash Point: | 138.8 °C |
| PSA: | 28.68000 |
| LogP: | 1.82850 |
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- Total:35 Page 1 of 1 1
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Specification
This chemical is called 4,5-Dimethyl-1H-imidazole hydrochloride, and it can also be named as 4,5-Dimethylimidazole HCl. With the molecular formula of C5H9ClN2, its molecular weight is 132.59. The CAS registry number of this chemical is 53316-51-1.
Other characteristics of the 4,5-Dimethyl-1H-imidazole hydrochloride can be summarised as followings: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 28.68 Å2; (7)Flash Point: 138.8 °C; (8)Enthalpy of Vaporization: 55.73 kJ/mol; (9)Boiling Point: 305.9 °C at 760 mmHg; (10)Vapour Pressure: 0.000592 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cl.Cc1ncnc1C
2.InChI: InChI=1/C5H8N2.ClH/c1-4-5(2)7-3-6-4;/h3H,1-2H3,(H,6,7);1H
3.InChIKey: RKSANQPKBITNSO-UHFFFAOYAD
4.Std. InChI: InChI=1S/C5H8N2.ClH/c1-4-5(2)7-3-6-4;/h3H,1-2H3,(H,6,7);1H
5.Std. InChIKey: RKSANQPKBITNSO-UHFFFAOYSA-N