| CAS Number | 1326242-72-1 |
| Catalog Number | AG019EW2(AGN-PC-0WG49V) |
| Chemical Name | Tert-Butyl N-(3-Bicyclo[1.1.1]Pentanyl)-N-[(2-Methylpropan-2-Yl)Oxycarbonylamino]Carbamate |
| IUPAC Name | tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate |
| InChI | InChI=1S/C15H26N2O4/c1-13(2,3)20-11(18)16-17(12(19)21-14(4,5)6)15-7-10(8-15)9-15/h10H,7-9H2,1-6H3,(H,16,18) |
| InChI Key | FEPHQWPVQIMVGG-UHFFFAOYSA-N |
| MDL Number | MFCD29917057 |
| Molecular Formula | C15H26N2O4 |
| Molecular Weight | 298.3779 |
| SMILES | O=C(OC(C)(C)C)NN(C12CC(C1)C2)C(=O)OC(C)(C)C |
| Synonyms | 1326242-72-1,
di-tert-butyl 1-(bicyclo[1.1.1]pentan-1-yl)hydrazine-1,2-dicarboxylate,
tert-butyl N-(3-bicyclo[1.1.1]pentanyl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate,
SCHEMBL13387122,
FEPHQWPVQIMVGG-UHFFFAOYSA-N,
MFCD29917057,
AKOS027256089,
ZINC199775983,
FCH5416820,
TZ001161,
CS-0035763,
1,2-Bis(tert-butoxycarbonyl)-1-(bicyclo[1.1.1]pentane-1-yl)hydrazine,
Di-t-butyl 1-(bicyclo[1.1.1]pentan-1-yl)hydrazine-1,2-dicarboxylate,
tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate,
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| Complexity | 431 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.383g/mol |
| Monoisotopic Mass | 298.189g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
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