| CAS Number | 1630906-94-3 |
| Catalog Number | AG001TQR(AGN-PC-0WCX95) |
| Chemical Name | 2,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-oxo-, phenylmethyl ester |
| IUPAC Name | benzyl 1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate |
| InChI | InChI=1S/C17H22N2O3/c20-15-17(7-4-10-18-15)8-11-19(12-9-17)16(21)22-13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2,(H,18,20) |
| InChI Key | HYDIDLMVLFRIDJ-UHFFFAOYSA-N |
| MDL Number | MFCD27987035 |
| Molecular Formula | C17H22N2O3 |
| Molecular Weight | 302.3682 |
| SMILES | O=C(OCc1ccccc1)N1CCC2(CCCNC2=O)CC1 |
| Synonyms | benzyl 1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate,
1630906-94-3,
9-Cbz-1-oxo-2,9-diazaspiro[5.5]undecane,
KS-000004HX,
MFCD27987035,
ZINC230568924,
SB11784,
AK171003,
AS-34013,
CS-0049870,
9-Cbz-1-oxo-2,9-diazaspiro[5.5]undecane, AldrichCPR,
2,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-oxo-, phenylmethyl ester,
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| Complexity | 410 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number