| CAS Number | 878630-92-3 |
| Catalog Number | AG01AGFQ(AGN-PC-0VHBYQ) |
| Chemical Name | Tert-butyl 4-(methylamino)azepane-1-carboxylate |
| IUPAC Name | tert-butyl 4-(methylamino)azepane-1-carboxylate |
| InChI | InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-5-6-10(13-4)7-9-14/h10,13H,5-9H2,1-4H3 |
| InChI Key | JMDRWRUSBCUXJG-UHFFFAOYSA-N |
| MDL Number | MFCD16293662 |
| Molecular Formula | C12H24N2O2 |
| Molecular Weight | 228.3312 |
| SMILES | CNC1CCN(C(OC(C)(C)C)=O)CCC1 |
| Synonyms | tert-butyl 4-(methylamino)azepane-1-carboxylate,
878630-92-3,
1H-Azepine-1-carboxylic acid, hexahydro-4-(methylamino)-, 1,1-dimethylethyl ester,
SCHEMBL803610,
NE57208,
DA-40917,
FT-0765517,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.336g/mol |
| Monoisotopic Mass | 228.184g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number