| CAS Number | 1217841-04-7 |
| Catalog Number | AG009XFH(AGN-PC-0WA325) |
| Chemical Name | (S)-tert-Butyl 2-(methylcarbamoyl)piperazine-1-carboxylate hydrochloride |
| IUPAC Name | tert-butyl (2S)-2-(methylcarbamoyl)piperazine-1-carboxylate;hydrochloride |
| InChI | InChI=1S/C11H21N3O3.ClH/c1-11(2,3)17-10(16)14-6-5-13-7-8(14)9(15)12-4;/h8,13H,5-7H2,1-4H3,(H,12,15);1H/t8-;/m0./s1 |
| InChI Key | GYZBGDIBGDZKLS-QRPNPIFTSA-N |
| MDL Number | MFCD11112291 |
| Molecular Formula | C11H22ClN3O3 |
| Molecular Weight | 279.7637 |
| SMILES | Cl.CNC(=O)[C@H]1N(CCNC1)C(=O)OC(C)(C)C |
| Synonyms | 1217841-04-7,
(S)-tert-Butyl 2-(methylcarbamoyl)piperazine-1-carboxylate hydrochloride,
(S) 1-Boc-2-(methylcarbamoyl)piperazine-HCl,
CTK8E1418,
DTXSID40662702,
AKOS015847222,
AK133417,
AB0000580,
AX8254968,
ST2401701,
B-2053,
(S) 1-Boc-2-(methylcarbamoyl)piperazine hydrochloride,
(s)1-boc-2-(methylcarbamoyl)piperazine hydrochloride,
(S) 1-BOC-2-(METHYLCARBAMOYL)PIPERAZINE-hydrochloride,
tert-Butyl (2S)-2-(methylcarbamoyl)piperazine-1-carboxylate--hydrogen chloride (1/1),
(R)-tert-Butyl 2-(methylcarbamoyl)piperazine-1-carboxylate hydrochloride,
(S)-tert-Butyl2-(methylcarbamoyl)piperazine-1-carboxylatehydrochloride,
1217826-94-2,
|
| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.135g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.765g/mol |
| Monoisotopic Mass | 279.135g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number