3-(2-Methyl-5-nitro-1h-imidazol-1-yl)propane-1,2-diol

Base Information

• Chemical Name: 3-(2-Methyl-5-nitro-1h-imidazol-1-yl)propane-1,2-diol
• CAS No.: 62580-80-7
• Molecular Formula: C7H11N3O4
• Molecular Weight: 201.18
• Hs Code.: 2933290090
• UNII: IM5MUU9WNB
• DSSTox Substance ID: DTXSID00875679
• Nikkaji Number: J64.293B
• ChEMBL ID: CHEMBL152829
• Mol file: 62580-80-7.mol

Synonyms:3-(2-methyl-5-nitroimidazol-1-yl)-1,2-propanediol;3-(2-methyl-5-nitroimidazole-1-yl)-1,2-propanediol;M4-ornidazole

Chemical Property of 3-(2-Methyl-5-nitro-1h-imidazol-1-yl)propane-1,2-diol

Chemical Property:

• Vapor Pressure: 2.44E-11mmHg at 25°C
• Melting Point: 102.0-104.5 °C
• Boiling Point: 512.8°C at 760 mmHg
• PKA: 13.69±0.20(Predicted)
• Flash Point: 263.9°C
• PSA: 104.10000
• Density: 1.53g/cm³
• LogP: -0.02390
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 201.07495584
• Heavy Atom Count: 14
• Complexity: 208

Purity/Quality:

99%min ^*data from raw suppliers

3-Deschloro-3-hydroxyOrnidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=C(N1CC(CO)O)[N+](=O)[O-]
• Uses: 3-Deschloro-3-hydroxy Ornidazole is a metabolite of Ornidazole; an anti-infective. 3-Deschloro-3-hydroxy Ornidazole is a metabolite of Ornidazole (O688500); an anti-infective.