| CAS Number | 2008714-47-2 |
| Catalog Number | AG01DIHM(AGN-PC-3H45CD) |
| Chemical Name | benzyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate hydrochloride |
| IUPAC Name | benzyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamate;hydrochloride |
| InChI | InChI=1S/C12H16N2O3.ClH/c15-11-7-13-6-10(11)14-12(16)17-8-9-4-2-1-3-5-9;/h1-5,10-11,13,15H,6-8H2,(H,14,16);1H/t10-,11-;/m1./s1 |
| InChI Key | LPEIDTHNPQNKOS-NDXYWBNTSA-N |
| MDL Number | MFCD27997400 |
| Molecular Formula | C12H17ClN2O3 |
| Molecular Weight | 272.7280 |
| SMILES | Cl.O[C@@H]1CNC[C@H]1NC(=O)OCc1ccccc1 |
| Synonyms | TRANS-BENZYL (4-HYDROXYPYRROLIDIN-3-YL)CARBAMATE HCL,
1951441-32-9,
LPEIDTHNPQNKOS-NDXYWBNTSA-N,
MFCD27997400,
Trans-benzyl (4-hydroxypyrrolidin-3-yl)carbamate hydrochloride,
benzyl N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]carbamatehydrochloride,
benzyl ((3R,4R)-4-hydroxypyrrolidin-3-yl)carbamate mono hydrochloride,
2008714-47-2,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.729g/mol |
| Monoisotopic Mass | 272.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number