| CAS Number | 1249774-15-9 |
| Catalog Number | AG01AD24(AGN-PC-0WO9CT) |
| Chemical Name | Tert-butyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate |
| InChI | InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-8-4-6-10(13)7-5-9-14/h10,14H,4-9H2,1-3H3 |
| InChI Key | JZSNIRHFBXQBTF-UHFFFAOYSA-N |
| MDL Number | MFCD16776298 |
| Molecular Formula | C12H23NO3 |
| Molecular Weight | 229.3159 |
| SMILES | CC(OC(N1C(CCCO)CCC1)=O)(C)C |
| Synonyms | tert-butyl 2-(3-hydroxypropyl)pyrrolidine-1-carboxylate,
1249774-15-9,
tert-Butyl (S)-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate,
SCHEMBL6337357,
rac-N-tert-butyloxycarbonyl-2-(3-hydroxypropyl)pyrrolidine,
AKOS011757602,
1-Boc-2-(3-hydroxypropyl)-pyrrolidine,
CS-0079034,
tert-Butyl (2R)-2-(3-hydroxypropyl)pyrrolidine-1-carboxylate,
239483-18-2,
239483-03-5,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.32g/mol |
| Monoisotopic Mass | 229.168g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number