| CAS Number | 1240529-22-9 |
| Catalog Number | AG01A9P1(AGN-PC-0WO3BS) |
| Chemical Name | tert-butyl N-(cyanomethyl)-N-ethylcarbamate |
| IUPAC Name | tert-butyl N-(cyanomethyl)-N-ethylcarbamate |
| InChI | InChI=1S/C9H16N2O2/c1-5-11(7-6-10)8(12)13-9(2,3)4/h5,7H2,1-4H3 |
| InChI Key | WDQGZBBATDSQEV-UHFFFAOYSA-N |
| MDL Number | MFCD09953055 |
| Molecular Formula | C9H16N2O2 |
| Molecular Weight | 184.2355 |
| SMILES | CCN(C(OC(C)(C)C)=O)CC#N |
| Synonyms | tert-butyl N-(cyanomethyl)-N-ethylcarbamate,
1240529-22-9,
AC1Q2YQM,
SCHEMBL18381058,
ZINC45049420,
AKOS011176650,
MCULE-3724692071,
NE25555,
EN300-65706,
Z1157684029,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.239g/mol |
| Monoisotopic Mass | 184.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number