| CAS Number | 177899-21-7 |
| Catalog Number | AG01B67N(AGN-PC-0NCCAK) |
| Chemical Name | tert-butyl N-[(tert-butoxy)carbonyl]-N-(4-oxobutyl)carbamate |
| IUPAC Name | tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxobutyl)carbamate |
| InChI | InChI=1S/C14H25NO5/c1-13(2,3)19-11(17)15(9-7-8-10-16)12(18)20-14(4,5)6/h10H,7-9H2,1-6H3 |
| InChI Key | XTTSZLHDKBNNRZ-UHFFFAOYSA-N |
| MDL Number | MFCD18251622 |
| Molecular Formula | C14H25NO5 |
| Molecular Weight | 287.3520 |
| SMILES | CC(OC(N(C(OC(C)(C)C)=O)CCCC=O)=O)(C)C |
| Synonyms | 177899-21-7,
tert-butyl N-[(tert-butoxy)carbonyl]-N-(4-oxobutyl)carbamate,
Imidodicarbonic acid, (4-oxobutyl)-, bis(1,1-dimethylethyl) ester,
di-tert-butyl (4-oxobutyl)imidodicarbonate,
SCHEMBL5051893,
ZINC34551147,
4-[Bis(tert-butyloxycarbonyl)amino]butanal,
CID10891497,
Imidodicarbonic acid, 2-(4-oxobutyl)-, 1,3-bis(1,1-dimethylethyl) ester,
Tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-oxobutyl)carbamate,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.356g/mol |
| Monoisotopic Mass | 287.173g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number