| CAS Number | 81542-52-1 |
| Catalog Number | AG00G9CP(AGN-PC-0WBEUP) |
| Chemical Name | 4-Iodo-3-methyl-1H-pyrazol-5-amine |
| IUPAC Name | 4-iodo-5-methyl-1H-pyrazol-3-amine |
| InChI | InChI=1S/C4H6IN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8) |
| InChI Key | FXVKMQDLYRBZPP-UHFFFAOYSA-N |
| MDL Number | MFCD21086244 |
| Molecular Formula | C4H6IN3 |
| Molecular Weight | 223.0150 |
| SMILES | IC=1C(=NNC1C)N |
| Synonyms | 4-Iodo-5-methyl-1H-pyrazol-3-amine,
81542-52-1,
4-iodo-3-methyl-1H-pyrazol-5-amine,
4-Iodo-5-methyl-1H-pyrazol-3-ylamine,
AC1Q2Q52,
CTK6C3914,
DTXSID60510998,
ZINC12506145,
AKOS008118238,
AKOS009237818,
AKOS022176060,
NE14563,
4-Iodo-5-methyl-2H-pyrazol-3-ylamine,
AJ-62584,
AJ-62585,
AB0301765,
EN300-35871,
Z-8965,
Z367451156,
2055855-82-6,
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| Complexity | 87.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.017g/mol |
| Monoisotopic Mass | 222.961g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number