| CAS Number | 1416176-14-1 |
| Catalog Number | AG00HW49(AGN-PC-0WCKA4) |
| Chemical Name | tert-butyl 9-formyl-3-azaspiro[5.5]undecane-3-carboxylate |
| IUPAC Name | tert-butyl 9-formyl-3-azaspiro[5.5]undecane-3-carboxylate |
| InChI | InChI=1S/C16H27NO3/c1-15(2,3)20-14(19)17-10-8-16(9-11-17)6-4-13(12-18)5-7-16/h12-13H,4-11H2,1-3H3 |
| InChI Key | AXUPGUGFMSYTMC-UHFFFAOYSA-N |
| MDL Number | MFCD26959105 |
| Molecular Formula | C16H27NO3 |
| Molecular Weight | 281.3905 |
| SMILES | O=C(N1CCC2(CCC(C=O)CC2)CC1)OC(C)(C)C |
| Synonyms | 1416176-14-1,
tert-butyl 9-formyl-3-azaspiro[5.5]undecane-3-carboxylate,
3-Boc-3-azaspiro[5.5]undecane-9-carbaldehyde,
SCHEMBL16465822,
KS-000004AR,
MFCD26959105,
ZINC97757499,
SB11195,
AK170903,
AS-33931,
CS-0048121,
3-Boc-3-azaspiro[5.5]undecane-9-carbaldehyde, AldrichCPR,
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| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.199g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.396g/mol |
| Monoisotopic Mass | 281.199g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number