Product Name

  • Name

    imidazole-4-carboxamide

  • EINECS
  • CAS No. 26832-08-6
  • Article Data6
  • CAS DataBase
  • Density 1.394 g/cm3
  • Solubility
  • Melting Point 216 °C
  • Formula C4H5N3O
  • Boiling Point 549.8 °C at 760 mmHg
  • Molecular Weight 111.103
  • Flash Point 286.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 26832-08-6 (imidazole-4-carboxamide)
  • Hazard Symbols
  • Synonyms 1H-Imidazole-4-carboxamide(9CI);Imidazole-4-carboxamide (6CI,8CI);4-Carbamoylimidazole;IEM 1369;Imidazole-4(5)-carboxamide;
  • PSA 71.77000
  • LogP 0.20890

Imidazole-4-carboxamide Specification

The 1H-Imidazole-5-carboxamide, with the CAS registry number 26832-08-6, is also called imidazole-4-carboxamide. It belongs to the following product categories: Pharmacetical; Imidazoles & Benzimidazoles. And the molecular formula of this chemical is C4H5N3O.

The physical properties of 1H-Imidazole-5-carboxamide are as following: (1)ACD/LogP: -0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.67; (4)ACD/LogD (pH 7.4): -0.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.9; (8)ACD/KOC (pH 7.4): 10.66; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.13 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 27.7 cm3; (15)Molar Volume: 79.6 cm3; (16)Polarizability: 10.98×10-24cm3; (17)Surface Tension: 76.2 dyne/cm; (18)Density: 1.394 g/cm3; (19)Flash Point: 286.3 °C; (20)Enthalpy of Vaporization: 82.97 kJ/mol; (21)Boiling Point: 549.8 °C at 760 mmHg; (22)Vapour Pressure: 3.89E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)c1cncn1
(2)InChI: InChI=1/C4H5N3O/c5-4(8)3-1-6-2-7-3/h1-2H,(H2,5,8)(H,6,7)
(3)InChIKey: ZBNZAJFNDPPMDT-UHFFFAOYAN

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