| CAS Number | 1217442-24-4 |
| Catalog Number | AG009IZN |
| Chemical Name | tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate hydrochloride |
| IUPAC Name | tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride |
| InChI | InChI=1S/C10H20N2O3.ClH/c1-10(2,3)15-9(14)12-5-4-11-8(6-12)7-13;/h8,11,13H,4-7H2,1-3H3;1H/t8-;/m0./s1 |
| InChI Key | LSYNNDZVKFLQDE-QRPNPIFTSA-N |
| MDL Number | MFCD11101272 |
| Molecular Formula | C10H21ClN2O3 |
| Molecular Weight | 252.7383 |
| SMILES | OC[C@H]1NCCN(C1)C(=O)OC(C)(C)C.Cl |
| Synonyms | 1217442-24-4,
SCHEMBL14150192,
AKOS015969093,
(S)-tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate hydrochloride,
(S)-4-N-BOC-2-HYDROXYMETHYL-PIPERAZINE HCL,
(R)-tert-Butyl 3-(hydroxymethyl)piperazine-1-carboxylate hydrochloride,
1217444-84-2,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.739g/mol |
| Monoisotopic Mass | 252.124g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number