| CAS Number | 1247796-07-1 |
| Catalog Number | AG00HHSF |
| Chemical Name | Tert-butyl cyanomethylpropylcarbamate |
| IUPAC Name | tert-butyl N-(cyanomethyl)-N-propylcarbamate |
| InChI | InChI=1S/C10H18N2O2/c1-5-7-12(8-6-11)9(13)14-10(2,3)4/h5,7-8H2,1-4H3 |
| InChI Key | ZCCOXTXNPJIWCY-UHFFFAOYSA-N |
| MDL Number | MFCD09953056 |
| Molecular Formula | C10H18N2O2 |
| Molecular Weight | 198.2621 |
| SMILES | CCCN(C(OC(C)(C)C)=O)CC#N |
| Synonyms | 1247796-07-1,
TERT-BUTYL CYANOMETHYLPROPYLCARBAMATE,
tert-Butyl (cyanomethyl)(propyl)carbamate,
AB3362,
ZINC45092344,
AKOS011153012,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.136828g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.26g/mol |
| Monoisotopic Mass | 198.136828g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 53.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number