| CAS Number | 1946813-52-0 |
| Catalog Number | AG003AN5(AGN-PC-0WGGOB) |
| Chemical Name | tert-butyl 3-(4-amino-1H-pyrazol-1-yl)propanoate |
| IUPAC Name | tert-butyl 3-(4-aminopyrazol-1-yl)propanoate |
| InChI | InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)4-5-13-7-8(11)6-12-13/h6-7H,4-5,11H2,1-3H3 |
| InChI Key | UGUOPGYXDOYPNK-UHFFFAOYSA-N |
| MDL Number | MFCD16621410 |
| Molecular Formula | C10H17N3O2 |
| Molecular Weight | 211.2609 |
| SMILES | O=C(OC(C)(C)C)CCN1N=CC(N)=C1 |
| Synonyms | AKOS032959179,
ZINC408717785,
tert-butyl 3-(4-amino-1H-pyrazol-1-yl)propanoate,
1946813-52-0,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.265g/mol |
| Monoisotopic Mass | 211.132g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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