1H-Imidazole-2-carboxylicacid, 1-methyl-, ethyl ester (30148-21-1)

The Ethyl 1-methyl-1H-imidazole-2-carboxylate, with CAS registry number 30148-21-1, belongs to the following product categories: Miscellaneous Reagents. It has the systematic name of ethyl 1-methyl-1H-imidazole-2-carboxylate. Besides this, it is also called 1H-Imidazole-2-carboxylic acid, 1-methyl-, ethyl ester. And the chemical formula of this chemical is C₇H₁₀N₂O₂. And this chemical is a kind of white crystalline solid.

Physical properties of Ethyl 1-methyl-1H-imidazole-2-carboxylate: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.64; (5)ACD/BCF (pH 5.5): 1.76; (6)ACD/BCF (pH 7.4): 1.81; (7)ACD/KOC (pH 5.5): 51.66; (8)ACD/KOC (pH 7.4): 53.28; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.12 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 41.13 cm³; (15)Molar Volume: 134.1 cm³; (16)Polarizability: 16.3×10^-24cm³; (17)Surface Tension: 38.1 dyne/cm; (18)Enthalpy of Vaporization: 49.22 kJ/mol; (19)Vapour Pressure: 0.0169 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1nccn1C
(2)InChI: InChI=1/C7H10N2O2/c1-3-11-7(10)6-8-4-5-9(6)2/h4-5H,3H2,1-2H3
(3)InChIKey: NOTZYDYZBOBDFE-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H10N2O2/c1-3-11-7(10)6-8-4-5-9(6)2/h4-5H,3H2,1-2H3
(5)Std. InChIKey: NOTZYDYZBOBDFE-UHFFFAOYSA-N