| CAS Number | 1803597-09-2 |
| Catalog Number | AG019M4C |
| Chemical Name | 1-(1-methyl-4-nitro-1H-imidazol-5-yl)piperazine hydrochloride |
| IUPAC Name | 1-(3-methyl-5-nitroimidazol-4-yl)piperazine;hydrochloride |
| InChI | InChI=1S/C8H13N5O2.ClH/c1-11-6-10-7(13(14)15)8(11)12-4-2-9-3-5-12;/h6,9H,2-5H2,1H3;1H |
| InChI Key | YCRMPQSPABUMSL-UHFFFAOYSA-N |
| MDL Number | MFCD28145654 |
| Molecular Formula | C8H14ClN5O2 |
| Molecular Weight | 247.6821 |
| SMILES | Cl.CN1C(N2CCNCC2)=C([N+]([O-])=O)N=C1 |
| Synonyms | 1-(1-methyl-4-nitro-1H-imidazol-5-yl)piperazine hydrochloride,
1803597-09-2,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.683g/mol |
| Monoisotopic Mass | 247.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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