3,9-Dibenzyl-3,7,9-triazabicyclo[3.3.1]nonane - CAS 864448-31-7
Catalog: |
BB062775 |
Product Name: |
3,9-Dibenzyl-3,7,9-triazabicyclo[3.3.1]nonane |
CAS: |
864448-31-7 |
Synonyms: |
3,9-Bis(phenylmethyl)-3,7,9-triazabicyclo[3.3.1]nonane |
IUPAC Name: | 3,9-dibenzyl-3,7,9-triazabicyclo[3.3.1]nonane |
Description: | 3,9-Dibenzyl-3,7,9-triazabicyclo[3.3.1]nonane is an intermediate used in the preparation of piperazine based building blocks. |
Molecular Weight: | 307.43 |
Molecular Formula: | C20H25N3 |
Canonical SMILES: | C1C2CN(CC(N2CC3=CC=CC=C3)CN1)CC4=CC=CC=C4 |
InChI: | InChI=1S/C20H25N3/c1-3-7-17(8-4-1)13-22-15-19-11-21-12-20(16-22)23(19)14-18-9-5-2-6-10-18/h1-10,19-21H,11-16H2 |
InChI Key: | SNGGAGSGIFAHDI-UHFFFAOYSA-N |
References: | Revesz, L., et al. Tetrahedron Lett., 46, 5577 (2005). |
Complexity: | 346 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 307.20484781 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.20484781 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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