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CAS No.: | 883291-45-0 |
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Name: | 4-(2-Methyl-1H-imidazol-1-yl)benzylamine |
Molecular Structure: | |
Formula: | C11H13N3 |
Molecular Weight: | 187.244 |
Synonyms: | 1-[4-(2-Methyl-1H-imidazol-1-yl)phenyl]methanamine;[4-(2-Methylimidazol-1-yl)phenyl]methanamine; |
Density: | 1.14 g/cm3 |
Melting Point: | 90.5 °C |
Boiling Point: | 369.6 °C at 760 mmHg |
Flash Point: | 177.3 °C |
Hazard Symbols: | C |
PSA: | 43.84000 |
LogP: | 2.33970 |
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The Benzenemethanamine,4-(2-methyl-1H-imidazol-1-yl)-, with the CAS registry number 883291-45-0, is also known as [4-(2-Methylimidazol-1-yl)phenyl]methanamine. This chemical's molecular formula is C11H13N3 and molecular weight is 187.24. What's more, its systematic name is 1-[4-(2-methyl-1H-imidazol-1-yl)phenyl]methanamine.
Physical properties of Benzenemethanamine,4-(2-methyl-1H-imidazol-1-yl)- are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 21.06 Å2; (7)Index of Refraction: 1.61; (8)Molar Refractivity: 56.87 cm3; (9)Molar Volume: 164 cm3; (10)Polarizability: 22.54×10-24cm3; (11)Surface Tension: 44.2 dyne/cm; (12)Density: 1.14 g/cm3; (13)Flash Point: 177.3 °C; (14)Enthalpy of Vaporization: 61.64 kJ/mol; (15)Boiling Point: 369.6 °C at 760 mmHg; (16)Vapour Pressure: 1.17E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2ccn(c1ccc(cc1)CN)c2C
(2)InChI: InChI=1S/C11H13N3/c1-9-13-6-7-14(9)11-4-2-10(8-12)3-5-11/h2-7H,8,12H2,1H3
(3)InChIKey: JOMOQABDRBJMDQ-UHFFFAOYSA-N