| CAS Number | 904816-62-2 |
| Catalog Number | AG006D3F(AGN-PC-0WB86Y) |
| Chemical Name | tert-Butyl (1-cyanocyclohexyl)carbamate |
| IUPAC Name | tert-butyl N-(1-cyanocyclohexyl)carbamate |
| InChI | InChI=1S/C12H20N2O2/c1-11(2,3)16-10(15)14-12(9-13)7-5-4-6-8-12/h4-8H2,1-3H3,(H,14,15) |
| InChI Key | FHEWQQKIHCOSKJ-UHFFFAOYSA-N |
| MDL Number | MFCD07021279 |
| Molecular Formula | C12H20N2O2 |
| Molecular Weight | 224.2994 |
| SMILES | CC(OC(NC1(C#N)CCCCC1)=O)(C)C |
| Synonyms | 904816-62-2,
(1-Cyano-cyclohexyl)-carbamic acid tert-butyl ester,
tert-Butyl (1-cyanocyclohexyl)carbamate,
tert-butyl N-(1-cyanocyclohexyl)carbamate,
CTK5G7979,
KS-00001OZX,
DTXSID80587708,
ZINC6744805,
MFCD07021279,
AKOS005257173,
GL-0534,
MCULE-4897882029,
(1-Cyano-cyclohexyl)-carbamic acid tert-butyl ester, AldrichCPR,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.304g/mol |
| Monoisotopic Mass | 224.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number