| CAS Number | 102522-32-7 |
| Catalog Number | AG0007NA(AGN-PC-0NVEZQ) |
| Chemical Name | Octanoic acid, 8-amino-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 8-aminooctanoate |
| InChI | InChI=1S/C12H25NO2/c1-12(2,3)15-11(14)9-7-5-4-6-8-10-13/h4-10,13H2,1-3H3 |
| InChI Key | CGXSJIQNNZPSCT-UHFFFAOYSA-N |
| MDL Number | MFCD24624132 |
| Molecular Formula | C12H25NO2 |
| Molecular Weight | 215.3324 |
| SMILES | O=C(OC(C)(C)C)CCCCCCCN |
| Synonyms | 102522-32-7,
8-Aminooctanoic acid tert-butyl ester,
TERT-BUTYL 8-AMINOOCTANOATE,
Octanoic acid, 8-amino-, 1,1-dimethylethyl ester,
8-aminooctanoic acid tert.-butyl ester,
ACMC-20m5hn,
SCHEMBL3365775,
CTK0G7565,
DTXSID90552386,
ZINC34186193,
A1-08455,
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| Complexity | 173 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.337g/mol |
| Monoisotopic Mass | 215.189g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number