Name: 1H-Imidazole-4-carboxylicacid,2-amino-,ethylester(9CI)
SKU: 149520-94-5

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Basic Information

Molecular Structure:
CAS No.:	149520-94-5
Name:	1H-Imidazole-4-carboxylicacid,2-amino-,ethylester(9CI)
Article Data:	4

Formula:	C₆H₉N₃O₂
Molecular Weight:	155.156
Synonyms:	1H-Imidazole-4-carboxylicacid, 2-amino-, ethyl ester (9CI);2-Aminoimidazole-4-carboxylic acid ethylester;Ethyl 2-amino-1H-imidazole-4-carboxylate;1H-Imidazole-5-carboxylicacid, 2-amino-, ethyl ester;
Density:	1.319 g/cm³
Boiling Point:	363.632 °C at 760 mmHg
Flash Point:	173.719 °C
PSA:	81.00000
LogP:	0.74980

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Specification

Ethyl 2-amino-1H-imidazole-5-carboxylate is an organic compound with the formula C₆H₉N₃O₂, and its systematic name is the same with the product name. With the CAS registry number 149520-94-5, it is also named as 1H-Imidazole-5-carboxylicacid, 2-amino-, ethyl ester. It belongs to the product category of Carboxylicester. In addition, the molecular weight is 155.15.

Physical properties of Ethyl 2-amino-1H-imidazole-5-carboxylate are: (1)ACD/LogP: -0.082; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): -0.09; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 9.50; (8)ACD/KOC (pH 7.4): 21.16; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 81 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 39.42 cm³; (15)Molar Volume: 117.659 cm³; (16)Polarizability: 15.627×10^-24cm³; (17)Surface Tension: 63.01 dyne/cm; (18)Density: 1.319 g/cm³; (19)Flash Point: 173.719 °C; (20)Enthalpy of Vaporization: 60.972 kJ/mol; (21)Boiling Point: 363.632 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cnc(N)n1
(2)Std. InChI: InChI=1S/C6H9N3O2/c1-2-11-5(10)4-3-8-6(7)9-4/h3H,2H2,1H3,(H3,7,8,9)
(3)Std. InChIKey: NGJGNTZJCFFZLK-UHFFFAOYSA-N