| CAS Number | 351029-70-4 |
| Catalog Number | AG00CQJR(AGN-PC-0WO19U) |
| Chemical Name | tert-Butyl (2-cyanopropyl)carbamate |
| IUPAC Name | tert-butyl N-(2-cyanopropyl)carbamate |
| InChI | InChI=1S/C9H16N2O2/c1-7(5-10)6-11-8(12)13-9(2,3)4/h7H,6H2,1-4H3,(H,11,12) |
| InChI Key | WSUKSIUVTGLCTO-UHFFFAOYSA-N |
| MDL Number | MFCD16833881 |
| Molecular Formula | C9H16N2O2 |
| Molecular Weight | 184.2355 |
| SMILES | O=C(OC(C)(C)C)NCC(C#N)C |
| Synonyms | 351029-70-4,
tert-butyl N-(2-cyano-2-methylethyl)carbamate,
SCHEMBL14737964,
CTK8I3560,
Carbamic acid, (2-cyanopropyl)-, 1,1-dimethylethyl ester (9CI),
tert-Butyl (2-cyanopropyl)carbamate,
AKOS011945462,
MCULE-6630861546,
NE36951,
Z1316798726,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.239g/mol |
| Monoisotopic Mass | 184.121g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number