| CAS Number | 1160246-78-5 |
| Catalog Number | AG00HD77(AGN-PC-0WG4E3) |
| Chemical Name | benzyl 2-oxo-1,8-diazaspiro[4.6]undecane-8-carboxylate |
| IUPAC Name | benzyl 2-oxo-1,9-diazaspiro[4.6]undecane-9-carboxylate |
| InChI | InChI=1S/C17H22N2O3/c20-15-7-9-17(18-15)8-4-11-19(12-10-17)16(21)22-13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,18,20) |
| InChI Key | XFDDTOBLIZVDJX-UHFFFAOYSA-N |
| MDL Number | MFCD12198512 |
| Molecular Formula | C17H22N2O3 |
| Molecular Weight | 302.3682 |
| SMILES | O=C(OCc1ccccc1)N1CCCC2(CCC(=O)N2)CC1 |
| Synonyms | BENZYL 2-OXO-1,8-DIAZASPIRO[4.6]UNDECANE-8-CARBOXYLATE,
1160246-78-5,
MFCD12198512,
AKOS027253652,
PB15057,
AM805012,
CS-0038262,
Q-4077,
Benzyl2-oxo-1,8-diazaspiro[4.6]undecane-8-carboxylate,
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| Complexity | 420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 302.374g/mol |
| Monoisotopic Mass | 302.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number