Piperazine, 1-methyl-4-((1-methyl-5-nitro-1H-imidazol-2-yl)methyl)-
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Basic information
- CAS
54387-29-0- Standard SMILES
CN1CCN(Cc2ncc([N+](=O)[O-])n2C)CC1- InChIKey
QBMDUIXCYDOTRQ-UHFFFAOYSA-N- Molecular formula
- C10H17N5O2
- Average molar mass
- 239.27 g/mol
- Monoisotopic mass
- 239.1382248
Names & identifiers
- Preferred name
- Piperazine, 1-methyl-4-((1-methyl-5-nitro-1H-imidazol-2-yl)methyl)-
- IUPAC
- 1-methyl-4-[(1-methyl-5-nitroimidazol-2-yl)methyl]piperazine
- English name
- 1-Methyl-4-[(1-methyl-5-nitro-1H-imidazol-2-yl)methyl]piperazine
- Molecular formula
- C10H17N5O2
- Molecular weight
- 239.27
Names & synonyms
54387-29-0Piperazine, 1-methyl-4-((1-methyl-5-nitro-1H-imidazol-2-yl)methyl)-1-Methyl-4-((1-methyl-5-nitro-1H-imidazol-2-yl)methyl)piperazine1-methyl-4-[(1-methyl-5-nitro-1h-imidazol-2-yl)methyl]piperazineDA 3804BRN 08879475-25-09-00497 (Beilstein Handbook Reference)CHEMBL152412DTXSID90202758DB-3015001-Methyl-4-[(1-methyl-5-nitro-1h-imidazol-2-yl)methyl ]piperazineDA-3804
Show more names
Piperazine, 1-methyl-4-[(1-methyl-5-nitro-1H-imidazol-2-yl)methyl]-
Database identifiers
- CAS
54387-29-0- PubChem CID
- 94567
- DTXSID
DTXSID90202758- ChEMBL
CHEMBL152412- Nikkaji
- J153.495E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Experimental & physicochemical properties
LogP-0.32
Physicochemical properties
- Boiling point
- 414.3 · 414.3±35.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 7.47 · 7.47±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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