| CAS Number | 2138149-55-8 |
| Catalog Number | AG01EJ40 |
| Chemical Name | propyl piperazine-1-carboxylate hydrochloride |
| IUPAC Name | propyl piperazine-1-carboxylate;hydrochloride |
| InChI | InChI=1S/C8H16N2O2.ClH/c1-2-7-12-8(11)10-5-3-9-4-6-10;/h9H,2-7H2,1H3;1H |
| InChI Key | PKVCAPSMHHRDAS-UHFFFAOYSA-N |
| MDL Number | MFCD31558653 |
| Molecular Formula | C8H17ClN2O2 |
| Molecular Weight | 208.6858 |
| SMILES | Cl.CCCOC(N1CCNCC1)=O |
| Synonyms | propyl piperazine-1-carboxylate hydrochloride,
2138149-55-8,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.686g/mol |
| Monoisotopic Mass | 208.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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