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2-(2-Methyl-1H-imidazol-1-yl)ethanamine

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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 Molecular Structure of 113741-01-8 (2-(2-METHYL-IMIDAZOL-1-YL)-ETHYLAMINE 2HCL) 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

2-(2-Methyl-1H-imidazol-1-yl)ethanamine Specification

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

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