| CAS Number | 1249926-82-6 |
| Catalog Number | AG01AH4N(AGN-PC-0WO7AY) |
| Chemical Name | tert-butyl N-(2-cyano-2-methylethyl)-N-methylcarbamate |
| IUPAC Name | tert-butyl N-(2-cyanopropyl)-N-methylcarbamate |
| InChI | InChI=1S/C10H18N2O2/c1-8(6-11)7-12(5)9(13)14-10(2,3)4/h8H,7H2,1-5H3 |
| InChI Key | MKVQVDKMCLEPPE-UHFFFAOYSA-N |
| MDL Number | MFCD16050258 |
| Molecular Formula | C10H18N2O2 |
| Molecular Weight | 198.2621 |
| SMILES | CC(C#N)CN(C(OC(C)(C)C)=O)C |
| Synonyms | tert-butyl N-(2-cyano-2-methylethyl)-N-methylcarbamate,
1249926-82-6,
EN300-73684,
AKOS010840921,
FCH5202845,
MCULE-1820147031,
NE24166,
BBV-33205632,
Z1157679027,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.266g/mol |
| Monoisotopic Mass | 198.137g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number