| CAS Number | 1174006-82-6 |
| Catalog Number | AG00HDYG(AGN-PC-0WB0NL) |
| Chemical Name | tert-Butyl 1-cyano-6-azaspiro[2.5]octane-6-carboxylate |
| IUPAC Name | tert-butyl 2-cyano-6-azaspiro[2.5]octane-6-carboxylate |
| InChI | InChI=1S/C13H20N2O2/c1-12(2,3)17-11(16)15-6-4-13(5-7-15)8-10(13)9-14/h10H,4-8H2,1-3H3 |
| InChI Key | MYXLXKKWRQMPOP-UHFFFAOYSA-N |
| MDL Number | MFCD12546363 |
| Molecular Formula | C13H20N2O2 |
| Molecular Weight | 236.3101 |
| SMILES | CC(OC(N1CCC2(C(C#N)C2)CC1)=O)(C)C |
| Synonyms | tert-butyl 1-cyano-6-azaspiro[2.5]octane-6-carboxylate,
1174006-82-6,
SCHEMBL18357591,
KS-000027DG,
ZX-RL003378,
9953AC,
MFCD12546363,
tertbutylcyanoazaspirooctanecarboxylate,
AKOS015991489,
FCH1623701,
KF-0200,
MCULE-2499980161,
PB31659,
RP13583,
OR310129,
CS-0048477,
tert-butyl 2-cyano-6-azaspiro[2.5]octane-6-carboxylate,
C13H20N2O2,
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| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.315g/mol |
| Monoisotopic Mass | 236.152g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number