| CAS Number | 1803570-32-2 |
| Catalog Number | AG01BDRL(AGN-PC-0WOTIQ) |
| Chemical Name | tert-butyl [(2-cyanoethyl)(methyl)carbamoyl]formate |
| IUPAC Name | tert-butyl 2-[2-cyanoethyl(methyl)amino]-2-oxoacetate |
| InChI | InChI=1S/C10H16N2O3/c1-10(2,3)15-9(14)8(13)12(4)7-5-6-11/h5,7H2,1-4H3 |
| InChI Key | WKEXLUBNBRLXGU-UHFFFAOYSA-N |
| MDL Number | MFCD28023679 |
| Molecular Formula | C10H16N2O3 |
| Molecular Weight | 212.2456 |
| SMILES | CN(C(C(OC(C)(C)C)=O)=O)CCC#N |
| Synonyms | tert-butyl [(2-cyanoethyl)(methyl)carbamoyl]formate,
1803570-32-2,
ZINC97054333,
AKOS026743174,
EN300-178544,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.249g/mol |
| Monoisotopic Mass | 212.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number