| CAS Number | 1440960-78-0 |
| Catalog Number | AG01A22P |
| Chemical Name | tert-butyl N-[(azepan-3-yl)methyl]carbamate |
| IUPAC Name | tert-butyl N-(azepan-3-ylmethyl)carbamate |
| InChI | InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-9-10-6-4-5-7-13-8-10/h10,13H,4-9H2,1-3H3,(H,14,15) |
| InChI Key | COSIGBHYGJGZHZ-UHFFFAOYSA-N |
| MDL Number | MFCD22395762 |
| Molecular Formula | C12H24N2O2 |
| Molecular Weight | 228.3312 |
| SMILES | CC(OC(NCC1CNCCCC1)=O)(C)C |
| Synonyms | tert-butyl N-(azepan-3-ylmethyl)carbamate,
1440960-78-0,
AKOS023740855,
|
| Complexity | 224 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.336g/mol |
| Monoisotopic Mass | 228.184g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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