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4-Amino-1H-imidazole-2-carboxylic acid

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Name

4-Amino-1H-imidazole-2-carboxylic acid

EINECS N/A
CAS No. 155815-92-2 Density 1.677 g/cm3
PSA 92.00000 LogP 0.27130
Solubility N/A Melting Point N/A
Formula C4H5N3O2 Boiling Point 546.699 °C at 760 mmHg
Molecular Weight 127.10 Flash Point 284.434 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 155815-92-2 (4-Amino-1H-imidazole-2-carboxylic acid) Hazard Symbols N/A
Synonyms

3-Isoxazolecarboxylic acid, 6-formyl-, methyl ester;

 

4-Amino-1H-imidazole-2-carboxylic acid Specification

The 4-Amino-1H-imidazole-2-carboxylic acid with the CAS number 155815-92-2 is also called 3-Isoxazolecarboxylic acid, 6-formyl-, methyl ester. Its molecular formula is C4H5N3O2. This chemical belongs to the following product categories: (1)Aminoacid; (2)Carboxylicacid.

The properties of the 4-Amino-1H-imidazole-2-carboxylic acid are: (1)ACD/LogP: -0.66; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 92 Å2; (11)Index of Refraction: 1.72; (12)Molar Refractivity: 29.943 cm3; (13)Molar Volume: 75.789 cm3; (14)Polarizability: 11.871×10-24cm3; (15)Surface Tension: 116.487 dyne/cm; (16)Enthalpy of Vaporization: 86.911 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)c1ncc(N)n1
(2)InChI: InChI=1/C4H5N3O2/c5-2-1-6-3(7-2)4(8)9/h1H,5H2,(H,6,7)(H,8,9)
(3)InChIKey: RFOFSMYXSBHWPC-UHFFFAOYAE

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