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22509-02-0

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Basic Information
CAS No.: 22509-02-0
Name: 1-METHYL-2-ISOPROPYL-IMIDAZOLE
Article Data: 2
Molecular Structure:
Molecular Structure of 22509-02-0 (1-METHYL-2-ISOPROPYL-IMIDAZOLE)
Formula: C7H12N2
Molecular Weight: 124.186
Synonyms: Imidazole,2-isopropyl-1-methyl- (8CI);2-Isopropyl-1-methylimidazole;1-methyl-2-(propan-2-yl)-1H-imidazole;2-Isopropyl-1-methyl-1H-imidazole;
Density: 0.96 g/cm3
Boiling Point: 211.9 °C at 760 mmHg
Flash Point: 81.9 °C
PSA: 17.82000
LogP: 1.54350
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Specification

The 1H-Imidazole,1-methyl-2-(1-methylethyl)-, with the CAS registry number 22509-02-0, is also known as 2-Isopropyl-1-methylimidazole. This chemical's molecular formula is C7H12N2 and molecular weight is 124.18. What's more, its systematic name is 1-methyl-2-(propan-2-yl)-1H-imidazole.

Physical properties of 1H-Imidazole,1-methyl-2-(1-methylethyl)- are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.39; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 26.81; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 17.82 Å2; (12)Index of Refraction: 1.51; (13)Molar Refractivity: 38.7 cm3; (14)Molar Volume: 129.3 cm3; (15)Polarizability: 15.34×10-24cm3; (16)Surface Tension: 29.3 dyne/cm; (17)Density: 0.96 g/cm3; (18)Flash Point: 81.9 °C; (19)Enthalpy of Vaporization: 42.99 kJ/mol; (20)Boiling Point: 211.9 °C at 760 mmHg; (21)Vapour Pressure: 0.259 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1nccn1C
(2)InChI: InChI=1S/C7H12N2/c1-6(2)7-8-4-5-9(7)3/h4-6H,1-3H3
(3)InChIKey: IOILKZYWNMYWJY-UHFFFAOYSA-N