| CAS Number | 2059993-08-5 |
| Catalog Number | AG01BVT8 |
| Chemical Name | tert-butyl 3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-[4-(hydroxymethyl)triazol-1-yl]pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)15-5-4-10(7-15)16-6-9(8-17)13-14-16/h6,10,17H,4-5,7-8H2,1-3H3 |
| InChI Key | NUYVNUCEBQUIDR-UHFFFAOYSA-N |
| MDL Number | MFCD29479175 |
| Molecular Formula | C12H20N4O3 |
| Molecular Weight | 268.3122 |
| SMILES | CC(OC(N1CC(N2N=NC(CO)=C2)CC1)=O)(C)C |
| Synonyms | tert-butyl 3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidine-1-carboxylate,
2059993-08-5,
tert-butyl 3-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)pyrrolidine-1-carboxylate,
AKOS026718007,
F2157-0165,
Z2481359168,
|
| Complexity | 331 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.317g/mol |
| Monoisotopic Mass | 268.154g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
Lot Number