| CAS Number | 89910-53-2 |
| Catalog Number | AG01FM78(AGN-PC-3H5MB4) |
| Chemical Name | 1-(piperazin-1-yl)propan-2-ol dihydrochloride |
| IUPAC Name | 1-piperazin-1-ylpropan-2-ol;dihydrochloride |
| InChI | InChI=1S/C7H16N2O.2ClH/c1-7(10)6-9-4-2-8-3-5-9;;/h7-8,10H,2-6H2,1H3;2*1H |
| InChI Key | ADAFEYPYDWOZLJ-UHFFFAOYSA-N |
| MDL Number | MFCD22587710 |
| Molecular Formula | C7H18Cl2N2O |
| Molecular Weight | 217.1366 |
| SMILES | Cl.Cl.CC(O)CN1CCNCC1 |
| Synonyms | 1-piperazin-1-ylpropan-2-ol dihydrochloride,
(R)-1-(piperazin-1-yl)propan-2-ol dihydrochloride,
(S)-1-(Piperazin-1-yl)propan-2-ol dihydrochloride,
F2145-0717,
SCHEMBL1394967,
AKOS026677252,
MCULE-3681373015,
1-(piperazin-1-yl)propan-2-ol dihydrochloride,
L-2441,
89910-53-2,
1074-54-0,
954138-59-1,
954138-60-4,
|
| Complexity | 91.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.134g/mol |
| Monoisotopic Mass | 216.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number