| CAS Number | 1245645-41-3 |
| Catalog Number | AG009VYU(AGN-PC-0WAF89) |
| Chemical Name | tert-Butyl 4-(2-isopropyl-2H-tetrazol-5-yl)piperazine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(2-propan-2-yltetrazol-5-yl)piperazine-1-carboxylate |
| InChI | InChI=1S/C13H24N6O2/c1-10(2)19-15-11(14-16-19)17-6-8-18(9-7-17)12(20)21-13(3,4)5/h10H,6-9H2,1-5H3 |
| InChI Key | QEMDJHFHYJEGMI-UHFFFAOYSA-N |
| MDL Number | MFCD12911422 |
| Molecular Formula | C13H24N6O2 |
| Molecular Weight | 296.3687 |
| SMILES | CC(C)n1nnc(n1)N1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 1245645-41-3,
tert-Butyl 4-(2-isopropyl-2H-tetrazol-5-yl)piperazine-1-carboxylate,
tert-Butyl 4-(2-isopropyltetrazol-5-yl)piperazine-1-carboxylate,
MFCD12911422,
AKOS016015881,
CS-W023206,
AJ-122835,
t-Butyl 4-(2-isopropyl-2H-tetrazol-5-yl)piperazine-1-carboxylate,
tert-butyl 4-(2-propan-2-yltetrazol-5-yl)piperazine-1-carboxylate,
tert-butyl 4-[2-(propan-2-yl)-2H-1,2,3,4-tetrazol-5-yl]piperazine-1-carboxylate,
QEMDJHFHYJEGMI-UHFFFAOYSA-N,
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| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.196g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.375g/mol |
| Monoisotopic Mass | 296.196g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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