| CAS Number | 1965304-61-3 |
| Catalog Number | AG003AN8(AGN-PC-0WCV5F) |
| Chemical Name | tert-Butyl [2-(4-amino-1h-pyrazol-1-yl)ethyl]carbamate oxalate |
| IUPAC Name | tert-butyl N-[2-(4-aminopyrazol-1-yl)ethyl]carbamate;oxalic acid |
| InChI | InChI=1S/C10H18N4O2.C2H2O4/c1-10(2,3)16-9(15)12-4-5-14-7-8(11)6-13-14;3-1(4)2(5)6/h6-7H,4-5,11H2,1-3H3,(H,12,15);(H,3,4)(H,5,6) |
| InChI Key | VQOTXRDCJXLTAE-UHFFFAOYSA-N |
| MDL Number | MFCD27756608 |
| Molecular Formula | C12H20N4O6 |
| Molecular Weight | 316.3104 |
| SMILES | C(C(=O)O)(=O)O.NC=1C=NN(C1)CCNC(OC(C)(C)C)=O |
| Synonyms | tert-butyl [2-(4-amino-1H-pyrazol-1-yl)ethyl]carbamate oxalate,
1965304-61-3,
tert-Butyl (2-(4-amino-1H-pyrazol-1-yl)ethyl)carbamate oxalate,
1394162-48-1,
MFCD27756608,
AKOS027444662,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.314g/mol |
| Monoisotopic Mass | 316.138g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 157A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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