| CAS Number | 1044758-23-7 |
| Catalog Number | AG0093MP(AGN-PC-0WR28Y) |
| Chemical Name | Imidodicarbonic acid, 2-(3-nitro-2-pyridinyl)-, 1,3-bis(1,1-dimethylethyl) ester |
| IUPAC Name | tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-nitropyridin-2-yl)carbamate |
| InChI | InChI=1S/C15H21N3O6/c1-14(2,3)23-12(19)17(13(20)24-15(4,5)6)11-10(18(21)22)8-7-9-16-11/h7-9H,1-6H3 |
| InChI Key | SDKVOBASBFCVML-UHFFFAOYSA-N |
| MDL Number | MFCD28044131 |
| Molecular Formula | C15H21N3O6 |
| Molecular Weight | 339.3437 |
| SMILES | O=C(N(c1ncccc1[N+](=O)[O-])C(=O)OC(C)(C)C)OC(C)(C)C |
| Synonyms | 1044758-23-7,
Imidodicarbonic acid, 2-(3-nitro-2-pyridinyl)-, 1,3-bis(1,1-dimethylethyl) ester,
N,N-Bis-Boc-3-Nitro-pyridin-2-ylamine,
Z-8485,
|
| Complexity | 461 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.143035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 339.34g/mol |
| Monoisotopic Mass | 339.143035g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 115Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number