| CAS Number | 1049607-15-9 |
| Catalog Number | AG01DUC7 |
| Chemical Name | tert-Butyl N-{5-aminobicyclo[3.1.1]heptan-1-yl}carbamate |
| IUPAC Name | tert-butyl N-(5-amino-1-bicyclo[3.1.1]heptanyl)carbamate |
| InChI | InChI=1S/C12H22N2O2/c1-10(2,3)16-9(15)14-12-6-4-5-11(13,7-12)8-12/h4-8,13H2,1-3H3,(H,14,15) |
| InChI Key | CXZHLLYWULEMRB-UHFFFAOYSA-N |
| MDL Number | MFCD13806410 |
| Molecular Formula | C12H22N2O2 |
| Molecular Weight | 226.3153 |
| SMILES | CC(C)(OC(NC12CC(N)(C2)CCC1)=O)C |
| Synonyms | tert-butyl N-{5-aminobicyclo[3.1.1]heptan-1-yl}carbamate,
EN300-61211,
1049607-15-9,
tert-butyl 5-aminobicyclo[3.1.1]hept-1-ylcarbamate,
AC1Q1NBE,
CTK7G9075,
ZINC12506823,
AKOS025148551,
FCH1617884,
|
| Complexity | 301 |
| 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 | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number