Chemical Properties of 1H-Imidazole, 1-methyl-5-nitro- (CAS 3034-42-2)

InChI

InChI=1S/C4H5N3O2/c1-6-3-5-2-4(6)7(8)9/h2-3H,1H3

InChI Key

JLZXSFPSJJMRIX-UHFFFAOYSA-N

Formula

C4H5N3O2

SMILES

Cn1cncc1[N+](=O)[O-]

Molecular Weight¹

127.10

CAS

3034-42-2

Other Names

• Imidazole, 1-methyl-5-nitro-
• 1-Methyl-5-nitroimidazole
• 1-Methyl-5-nitro-1H-imidazole

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 1H-Imidazole, 1-methyl-5-nitro-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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