| CAS Number | 1803595-17-6 |
| Catalog Number | AG01BDRN |
| Chemical Name | tert-butyl [bis(cyanomethyl)carbamoyl]formate |
| IUPAC Name | tert-butyl 2-[bis(cyanomethyl)amino]-2-oxoacetate |
| InChI | InChI=1S/C10H13N3O3/c1-10(2,3)16-9(15)8(14)13(6-4-11)7-5-12/h6-7H2,1-3H3 |
| InChI Key | FFTRIWLWQHCGND-UHFFFAOYSA-N |
| MDL Number | MFCD28023794 |
| Molecular Formula | C10H13N3O3 |
| Molecular Weight | 223.2285 |
| SMILES | CC(OC(C(N(CC#N)CC#N)=O)=O)(C)C |
| Synonyms | tert-butyl [bis(cyanomethyl)carbamoyl]formate,
1803595-17-6,
ZINC97054338,
EN300-178546,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.232g/mol |
| Monoisotopic Mass | 223.096g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 94.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number