| CAS Number | 1330765-96-2 |
| Catalog Number | AG019EN9(AGN-PC-0WG4FK) |
| Chemical Name | 7,10-dibenzyl-2,7,10-triazaspiro[4.6]undecane |
| IUPAC Name | 7,10-dibenzyl-2,7,10-triazaspiro[4.6]undecane |
| InChI | InChI=1S/C22H29N3/c1-3-7-20(8-4-1)15-24-13-14-25(16-21-9-5-2-6-10-21)19-22(18-24)11-12-23-17-22/h1-10,23H,11-19H2 |
| InChI Key | ZXZSDCUWQQWSAP-UHFFFAOYSA-N |
| MDL Number | MFCD20230626 |
| Molecular Formula | C22H29N3 |
| Molecular Weight | 335.4858 |
| SMILES | C(N1CCN(Cc2ccccc2)CC2(CCNC2)C1)c1ccccc1 |
| Synonyms | 7,10-Dibenzyl-2,7,10-triazaspiro[4.6]undecane,
1330765-96-2,
MFCD20230626,
CS-0037787,
7,10-Dibenzyl-2,7,10-Triazaspiro[4.6]Undecane(WX100645),
|
| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.236g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.495g/mol |
| Monoisotopic Mass | 335.236g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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