| CAS Number | 1160246-93-4 |
| Catalog Number | AG00HD7A(AGN-PC-0WD8WQ) |
| Chemical Name | 1,1-Dimethylethyl 3-cyano-1-oxa-8-azaspiro[4.5]decane-8-carboxylate |
| IUPAC Name | tert-butyl 3-cyano-1-oxa-8-azaspiro[4.5]decane-8-carboxylate |
| InChI | InChI=1S/C14H22N2O3/c1-13(2,3)19-12(17)16-6-4-14(5-7-16)8-11(9-15)10-18-14/h11H,4-8,10H2,1-3H3 |
| InChI Key | UVHFFLIARIPWCK-UHFFFAOYSA-N |
| MDL Number | MFCD12198531 |
| Molecular Formula | C14H22N2O3 |
| Molecular Weight | 266.3361 |
| SMILES | CC(C)(C)OC(=O)N1CCC2(CC(CO2)C#N)CC1 |
| Synonyms | 1160246-93-4,
TERT-BUTYL 3-CYANO-1-OXA-8-AZASPIRO[4.5]DECANE-8-CARBOXYLATE,
tert-Butyl3-cyano-1-oxa-8-azaspiro[4.5]decane-8-carboxylate,
SCHEMBL2427881,
UVHFFLIARIPWCK-UHFFFAOYSA-N,
MFCD12198531,
AKOS027253656,
PB15064,
AM805375,
CS-0036216,
t-Butyl 3-cyano-1-oxa-8-azaspiro[4.5]decane-8-carboxylate,
tert-butyl (3RS)-3-cyano-1-oxa-8-azaspiro[4.5]decane-8-carboxylate,
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| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.341g/mol |
| Monoisotopic Mass | 266.163g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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