Basic information
- CAS
19183-17-6- Standard SMILES
Cc1nc([N+](=O)[O-])c([N+](=O)[O-])n1C- InChIKey
AQLUEEMSUSDYEU-UHFFFAOYSA-N- Molecular formula
- C5H6N4O4
- Average molar mass
- 186.13 g/mol
- Monoisotopic mass
- 186.03890469
Names & identifiers
- Preferred name
- 1,2-Dimethyl-4,5-dinitroimidazole
- IUPAC
- 1,2-dimethyl-4,5-dinitroimidazole
- English name
- 1,2-dimethyl-4,5-dinitro-1H-imidazole
- Molecular formula
- C5H6N4O4
- Molecular weight
- 186.13
Names & synonyms
1,2-dimethyl-4,5-dinitro-1H-imidazole19183-17-61,2-DIMETHYL-4,5-DINITROIMIDAZOLEMFCD097017151,2-dimethyl-4,5-dinitro-imidazoleSCHEMBL10531030DTXSID90172720SBB025138STK352079AKOS005167934AKOS015922467CS-0282226
Show more names
1H-Imidazole, 1,2-dimethyl-4,5-dinitro-
ST45151314EN300-231549
Database identifiers
- CAS
19183-17-6- PubChem CID
- 29486
- DTXSID
DTXSID90172720- Nikkaji
- J1.605.509C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
LogP0.49
Physicochemical properties
- Melting point
- 50 · 50-51 °C
- Boiling point
- 439.4 · 439.4±25.0 °C(Predicted)
- Density
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- pka
- -3.66 · -3.66±0.60(Predicted)
Chemistry & industry
Suppliers1 total
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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