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CAS No.: | 75380-60-8 |
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Name: | 2-ethyl-4-methyl-4H-pyrazolo[1,5-a]benzimidazole hydrochloride (1:1) |
Molecular Structure: | |
Formula: | C12H14ClN3 |
Molecular Weight: | 235.71 |
Synonyms: | 2-ethyl-4-methyl-4H-pyrazolo[1,5-a]benzimidazole hydrochloride (1:1); |
Boiling Point: | 214 °C at 760 mmHg |
Flash Point: | 83.2 °C |
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The 4H-Pyrazolo(1,5-a)benzimidazole, 2-ethyl-4-methyl-, monohydrochloride has the CAS registry number 75380-60-8. This chemical's molecular formula is C12H14ClN3 and molecular weight is 235.71. What's more, its systematic name is 2-ethyl-4-methyl-4H-pyrazolo[1,5-a]benzimidazole hydrochloride (1:1).
Physical properties of 4H-Pyrazolo(1,5-a)benzimidazole, 2-ethyl-4-methyl-, monohydrochloride are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 22.23 Å2; (7)Flash Point: 83.2 °C; (8)Enthalpy of Vaporization: 45.03 kJ/mol; (9)Boiling Point: 214 °C at 760 mmHg; (10)Vapour Pressure: 0.159 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Cl.n3n2c1ccccc1n(c2cc3CC)C
(2)InChI: InChI=1/C12H13N3.ClH/c1-3-9-8-12-14(2)10-6-4-5-7-11(10)15(12)13-9;/h4-8H,3H2,1-2H3;1H
(3)InChIKey: ZLHPJYBTSGAODR-UHFFFAOYAA