| CAS Number | 1357351-86-0 |
| Catalog Number | AG00HUCD(AGN-PC-0WG4PE) |
| Chemical Name | 1-HYDROXYMETHYL-2-OXA-5-AZA-BICYCLO[2.2.1]HEPTANE-5-CARBOXYLIC ACID TERT-BUTYL ESTER |
| IUPAC Name | tert-butyl 1-(hydroxymethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate |
| InChI | InChI=1S/C11H19NO4/c1-10(2,3)16-9(14)12-6-11(7-13)4-8(12)5-15-11/h8,13H,4-7H2,1-3H3 |
| InChI Key | MXDZFXHHNOXHLF-UHFFFAOYSA-N |
| MDL Number | MFCD22209627 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | OCC12OCC(N(C1)C(=O)OC(C)(C)C)C2 |
| Synonyms | 1357351-86-0,
1-Hydroxymethyl-2-Oxa-5-Aza-Bicyclo[2.2.1]Heptane-5-Carboxylic Acid Tert-Butyl Ester,
tert-Butyl 1-(hydroxymethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate,
SCHEMBL17824265,
MFCD22209627,
CS-0036762,
1-Hydroxymethyl-2-oxa-5-aza-bicyclo[2.2.1]heptane-5-carboxylic acid t-butyl ester,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.276g/mol |
| Monoisotopic Mass | 229.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number