| CAS Number | 1334173-77-1 |
| Catalog Number | AG00HSWN(AGN-PC-0WCL80) |
| Chemical Name | (S)-Piperazine-2-carboxylic acid methyl ester dihydrochloride |
| IUPAC Name | methyl (2S)-piperazine-2-carboxylate;dihydrochloride |
| InChI | InChI=1S/C6H12N2O2.2ClH/c1-10-6(9)5-4-7-2-3-8-5;;/h5,7-8H,2-4H2,1H3;2*1H/t5-;;/m0../s1 |
| InChI Key | ZBYFDUSYNDLSND-XRIGFGBMSA-N |
| MDL Number | MFCD09954304 |
| Molecular Formula | C6H14Cl2N2O2 |
| Molecular Weight | 217.0936 |
| SMILES | Cl.Cl.COC(=O)[C@H]1NCCNC1 |
| Synonyms | 1334173-77-1,
(S)-Methyl piperazine-2-carboxylate 2HCl,
(s)-piperazine-2-carboxylic acid methyl ester dihydrochloride,
METHYL (2R)-PIPERAZINE-2-CARBOXYLATE DIHYDROCHLORIDE,
CTK6I6708,
ZX-RL005777,
MFCD09954304,
PB16226,
AS-39249,
OR307033,
CS-0057695,
Q-1158,
Methyl (2S)-piperazine-2-carboxylate dihydrochloride,
637027-25-9,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.09g/mol |
| Monoisotopic Mass | 216.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number