| CAS Number | 1545779-06-3 |
| Catalog Number | AG01AD9I |
| Chemical Name | 5-AMINO-1-TERT-BUTYL-1H-PYRAZOLE-4-CARBOXYLIC ACID |
| IUPAC Name | 5-amino-1-tert-butylpyrazole-4-carboxylic acid |
| InChI | InChI=1S/C8H13N3O2/c1-8(2,3)11-6(9)5(4-10-11)7(12)13/h4H,9H2,1-3H3,(H,12,13) |
| InChI Key | JHRWOZRHVYZOBZ-UHFFFAOYSA-N |
| MDL Number | MFCD26025357 |
| Molecular Formula | C8H13N3O2 |
| Molecular Weight | 183.2077 |
| SMILES | NC1=C(C=NN1C(C)(C)C)C(=O)O |
| Synonyms | 5-amino-1-tert-butyl-1H-pyrazole-4-carboxylic acid,
1545779-06-3,
AKOS021563825,
ZINC137316859,
Z2379087819,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.211g/mol |
| Monoisotopic Mass | 183.101g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number