4-Boc-4,8-diazabicyclo[5.2.0]nonane - CAS 1253790-47-4
Catalog: |
BB073896 |
Product Name: |
4-Boc-4,8-diazabicyclo[5.2.0]nonane |
CAS: |
1253790-47-4 |
Synonyms: |
4,8-Diazabicyclo[5.2.0]nonane-4-carboxylic Acid 1,1-Dimethylethyl Ester |
IUPAC Name: | tert-butyl 4,8-diazabicyclo[5.2.0]nonane-4-carboxylate |
Description: | 4-Boc-4,8-diazabicyclo[5.2.0]nonane |
Molecular Weight: | 226.32 |
Molecular Formula: | C12H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2CNC2CC1 |
InChI: | InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-4-9-8-13-10(9)5-7-14/h9-10,13H,4-8H2,1-3H3 |
InChI Key: | UAPBLNAOCMMCAZ-UHFFFAOYSA-N |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.168127949 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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