| CAS Number | 2089257-47-4 |
| Catalog Number | AG01E8HW |
| Chemical Name | (4-iodo-1-methyl-1H-pyrazol-5-yl)methanamine hydrochloride |
| IUPAC Name | (4-iodo-2-methylpyrazol-3-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C5H8IN3.ClH/c1-9-5(2-7)4(6)3-8-9;/h3H,2,7H2,1H3;1H |
| InChI Key | NDDHIBVIESCGHF-UHFFFAOYSA-N |
| MDL Number | MFCD30539830 |
| Molecular Formula | C5H9ClIN3 |
| Molecular Weight | 273.5025 |
| SMILES | Cl.CN1C(CN)=C(I)C=N1 |
| Synonyms | (4-Iodo-1-methyl-1H-pyrazol-5-yl)methanamine hydrochloride,
2089257-47-4,
|
| Complexity | 98.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.502g/mol |
| Monoisotopic Mass | 272.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number