| CAS Number | 1341036-19-8 |
| Catalog Number | AG00HT6R(AGN-PC-0WCKLJ) |
| Chemical Name | tert-Butyl 9-(hydroxymethyl)-3-azaspiro-[5.5]undecane-3-carboxylate |
| IUPAC Name | tert-butyl 9-(hydroxymethyl)-3-azaspiro[5.5]undecane-3-carboxylate |
| InChI | InChI=1S/C16H29NO3/c1-15(2,3)20-14(19)17-10-8-16(9-11-17)6-4-13(12-18)5-7-16/h13,18H,4-12H2,1-3H3 |
| InChI Key | NREWQDPOGVEGDD-UHFFFAOYSA-N |
| MDL Number | MFCD19688648 |
| Molecular Formula | C16H29NO3 |
| Molecular Weight | 283.4064 |
| SMILES | C(=O)(OC(C)(C)C)N1CCC2(CC1)CCC(CC2)CO |
| Synonyms | 1341036-19-8,
tert-Butyl 9-(hydroxymethyl)-3-azaspiro-[5.5]undecane-3-carboxylate,
tert-Butyl 9-(hydroxymethyl)-3-azaspiro[5.5]undecane-3-carboxylate,
ZINC238790006,
SB11085,
CS-0055419,
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| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.412g/mol |
| Monoisotopic Mass | 283.215g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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