Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-(2-Methyl-1H-imidazol-1-yl)ethanamine |
EINECS | N/A |
CAS No. | 113741-01-8 | Density | 1.12 g/cm3 |
PSA | 43.84000 | LogP | 0.85050 |
Solubility | N/A | Melting Point |
116-120 °C |
Formula | C6H11N3 | Boiling Point | 273.598 °C at 760 mmHg |
Molecular Weight | 125.173 | Flash Point | 119.268 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39 | Risk Codes |
Xi:; |
Molecular Structure | Hazard Symbols | R37/38-41:; | |
Synonyms |
1-(2-Aminoethyl)-2-methylimidazole;1-(b-Aminoethyl)-2-methylimidazole;1-Aminoethyl-2-methylimidazole;2-(2-Methylimidazol-1-yl)ethylamine; |
Article Data | 4 |
The 2-(2-Methyl-1H-imidazol-1-yl)ethanamine, with the CAS registry number 113741-01-8, is also known as 1-(2-Aminoethyl)-2-methylimidazole. This chemical's molecular formula is C6H11N3 and molecular weight is 198.09. What's more, its systematic name is 2-(2-Methyl-1H-imidazol-1-yl)ethanamine.
Physical properties of 2-(2-Methyl-1H-imidazol-1-yl)ethanamine are: (1)ACD/LogP: -0.702; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.57; (4)ACD/LogD (pH 7.4): -2.85; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.84 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 36.383 cm3; (15)Molar Volume: 111.76 cm3; (16)Polarizability: 14.424×10-24cm3; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 119.268 °C; (20)Enthalpy of Vaporization: 51.195 kJ/mol; (21)Boiling Point: 273.598 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1ccn(c1C)CCN
(2)Std. InChI: InChI=1S/C6H11N3/c1-6-8-3-5-9(6)4-2-7/h3,5H,2,4,7H2,1H3
(3)Std. InChIKey: QKVROWZQJVDFSO-UHFFFAOYSA-N