| CAS Number | 1439908-04-9 |
| Catalog Number | AG01BR2W |
| Chemical Name | tert-butyl N-({7-azabicyclo[2.2.1]heptan-1-yl}methyl)carbamate |
| IUPAC Name | tert-butyl N-(7-azabicyclo[2.2.1]heptan-1-ylmethyl)carbamate |
| InChI | InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)13-8-12-6-4-9(14-12)5-7-12/h9,14H,4-8H2,1-3H3,(H,13,15) |
| InChI Key | GZEKNMTVWUYRAN-UHFFFAOYSA-N |
| MDL Number | MFCD25458134 |
| Molecular Formula | C12H22N2O2 |
| Molecular Weight | 226.3153 |
| SMILES | CC(OC(NCC12NC(CC1)CC2)=O)(C)C |
| Synonyms | 1439908-04-9,
tert-butyl N-({7-azabicyclo[2.2.1]heptan-1-yl}methyl)carbamate,
ZINC91675847,
AKOS026740730,
Z2739025455,
tert-butyl N-{7-azabicyclo[2.2.1]heptan-1-ylmethyl}carbamate,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.32g/mol |
| Monoisotopic Mass | 226.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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