| CAS Number | 1247126-54-0 |
| Catalog Number | AG01C6LQ |
| Chemical Name | tert-butyl N-(2-cyanoethyl)-N-(propan-2-yl)carbamate |
| IUPAC Name | tert-butyl N-(2-cyanoethyl)-N-propan-2-ylcarbamate |
| InChI | InChI=1S/C11H20N2O2/c1-9(2)13(8-6-7-12)10(14)15-11(3,4)5/h9H,6,8H2,1-5H3 |
| InChI Key | YKEWOOAZAFRMEX-UHFFFAOYSA-N |
| MDL Number | MFCD16053898 |
| Molecular Formula | C11H20N2O2 |
| Molecular Weight | 212.2887 |
| SMILES | CC(N(C(OC(C)(C)C)=O)CCC#N)C |
| Synonyms | tert-butyl N-(2-cyanoethyl)-N-(propan-2-yl)carbamate,
1247126-54-0,
ZINC42530436,
AKOS010849347,
FCH4727322,
BBV-33222219,
EN300-266363,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.293g/mol |
| Monoisotopic Mass | 212.152g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number