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5-Hydroxy-1H-imidazole-4-carboxamide

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Name

5-Hydroxy-1H-imidazole-4-carboxamide

EINECS N/A
CAS No. 56973-26-3 Density 1.627 g/cm3
PSA 92.00000 LogP -0.08550
Solubility N/A Melting Point 260 °C
Formula C4H5N3O2 Boiling Point 575 °C at 760 mmHg
Molecular Weight 127.103 Flash Point 301.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 56973-26-3 (5-Hydroxy-1H-imidazole-4-carboxamide) Hazard Symbols N/A
Synonyms

4-Carbamoyl-5-hydroxyimidazole;5-Hydroxyimidazole 4-carboxamide;Bredinin aglycone;NSC 266026;SM 108;SM 108(antitumor agent);

Article Data 8

5-Hydroxy-1H-imidazole-4-carboxamide Specification

The 5-Hydroxy-1H-imidazole-4-carboxamide, with the CAS registry number 56973-26-3, is also known as alpha-Propionyl-dihydroartemether. It belongs to the product categories of Heterocyclic Compounds; Heterocycles. This chemical's molecular formula is C4H5N3O2 and formula weight is 127.10. What's more, its IUPAC name and systematic name are the same which is called 4-hydroxy-1H-imidazole-5-carboxamide.

Physical properties of 5-Hydroxy-1H-imidazole-4-carboxamide: (1)ACD/LogP: 0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.17; (4)ACD/LogD (pH 7.4): -0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.49; (8)ACD/KOC (pH 7.4): 13.06; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.682; (13)Molar Refractivity: 29.58 cm3; (14)Molar Volume: 78.1 cm3; (15)Surface Tension: 105.7 dyne/cm; (16)Density: 1.627 g/cm3; (17)Melting Point: 260 °C; (18)Flash Point: 301.6 °C; (19)Enthalpy of Vaporization: 89.33 kJ/mol; (20)Boiling Point: 575 °C at 760 mmHg; (21)Vapour Pressure: 7.99E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=NC(=C(N1)C(=O)N)O
(2)InChI: InChI=1S/C4H5N3O2/c5-3(8)2-4(9)7-1-6-2/h1,9H,(H2,5,8)(H,6,7)
(3)InChIKey: UEWSIIBPZOBMBL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 146mg/kg (146mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Zhongguo Yaoli Xuebao. Acta Pharmacologica Sinica. Chinese Journal of Pharmacology. Vol. 2, Pg. 138, 1981.
 

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