| CAS Number | 519031-87-9 |
| Catalog Number | AG01A5SE |
| Chemical Name | tert-Butyl N-(4-cyanooxan-4-yl)carbamate |
| IUPAC Name | tert-butyl N-(4-cyanooxan-4-yl)carbamate |
| InChI | InChI=1S/C11H18N2O3/c1-10(2,3)16-9(14)13-11(8-12)4-6-15-7-5-11/h4-7H2,1-3H3,(H,13,14) |
| InChI Key | GFMHNORFBIULNJ-UHFFFAOYSA-N |
| MDL Number | MFCD25964086 |
| Molecular Formula | C11H18N2O3 |
| Molecular Weight | 226.2722 |
| SMILES | CC(C)(C)OC(=O)NC1(CCOCC1)C#N |
| Synonyms | tert-butyl N-(4-cyanooxan-4-yl)carbamate,
519031-87-9,
tert-butyl (4-cyanotetrahydro-2H-pyran-4-yl)carbamate,
tert-butyl 4-cyanotetrahydro-2H-pyran-4-ylcarbamate,
SCHEMBL14499840,
GFMHNORFBIULNJ-UHFFFAOYSA-N,
AKOS033934086,
ZINC145081305,
FCH3053331,
CS-0069620,
FT-0752374,
EN300-130030,
tert-Butyl 4-cyanotetrahydro-2H-pyran-4-yl-carbamate,
Z2513334924,
tert-butyl 4-cyano-tetrahydro-2H-pyran-4-ylcarbamate,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.276g/mol |
| Monoisotopic Mass | 226.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number