| CAS Number | 1909337-27-4 |
| Catalog Number | AG01C1BP |
| Chemical Name | tert-butyl N-[2-(aminomethyl)adamantan-2-yl]carbamate |
| IUPAC Name | tert-butyl N-[2-(aminomethyl)-2-adamantyl]carbamate |
| InChI | InChI=1S/C16H28N2O2/c1-15(2,3)20-14(19)18-16(9-17)12-5-10-4-11(7-12)8-13(16)6-10/h10-13H,4-9,17H2,1-3H3,(H,18,19) |
| InChI Key | AOVLCSCKGLZMTG-UHFFFAOYSA-N |
| MDL Number | MFCD29054870 |
| Molecular Formula | C16H28N2O2 |
| Molecular Weight | 280.4057 |
| SMILES | CC(OC(NC1(C2CC3CC1CC(C3)C2)CN)=O)(C)C |
| Synonyms | tert-butyl N-[2-(aminomethyl)adamantan-2-yl]carbamate,
1909337-27-4,
ZINC299805161,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.412g/mol |
| Monoisotopic Mass | 280.215g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number