| CAS Number | 88185-31-3 |
| Catalog Number | AG019V45(AGN-PC-0VJNDU) |
| Chemical Name | 1-(3-phenylprop-2-en-1-yl)piperazine dihydrochloride |
| IUPAC Name | 1-(3-phenylprop-2-enyl)piperazine;dihydrochloride |
| InChI | InChI=1S/C13H18N2.2ClH/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15;;/h1-7,14H,8-12H2;2*1H |
| InChI Key | PRCFTTDNUVTMRS-UHFFFAOYSA-N |
| MDL Number | MFCD09835387 |
| Molecular Formula | C13H20Cl2N2 |
| Molecular Weight | 275.2173 |
| SMILES | Cl.Cl.C(N1CCNCC1)C=CC1=CC=CC=C1 |
| Synonyms | 1-Cinnamylpiperazine dihydrochloride,
88185-31-3,
1-(3-phenylprop-2-en-1-yl)piperazine dihydrochloride,
CTK5F9473,
PRCFTTDNUVTMRS-UHFFFAOYSA-N,
N-cinnamyl piperazine dihydrochloride,
Piperazine, 1-(3-phenyl-2-propenyl)-, dihydrochloride,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.217g/mol |
| Monoisotopic Mass | 274.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
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