| CAS Number | 1363210-35-8 |
| Catalog Number | AG00HUID(AGN-PC-0WG4PG) |
| Chemical Name | 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 5-(hydroxymethyl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 5-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate |
| InChI | InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-6-8-4-10(13)5-9(8)7-14/h8-10,14H,4-7H2,1-3H3 |
| InChI Key | FZSNTGVWRIIJNL-UHFFFAOYSA-N |
| MDL Number | MFCD22209678 |
| Molecular Formula | C12H21NO3 |
| Molecular Weight | 227.3000 |
| SMILES | C(=O)(OC(C)(C)C)N1C2CC(C1)C(C2)CO |
| Synonyms | tert-Butyl 5-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate,
1363210-35-8,
MFCD22209678,
CS-0035612,
t-Butyl 5-(hydroxymethyl)-2-azabicyclo[2.2.1]heptane-2-carboxylate,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.304g/mol |
| Monoisotopic Mass | 227.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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