| CAS Number | 1185303-69-8 |
| Catalog Number | AG009O79(AGN-PC-0WBP0D) |
| Chemical Name | 3-(4-Ethylpiperazin-1-yl)propanoic acid |
| IUPAC Name | 3-(4-ethylpiperazin-1-yl)propanoic acid;dihydrochloride |
| InChI | InChI=1S/C9H18N2O2.2ClH/c1-2-10-5-7-11(8-6-10)4-3-9(12)13;;/h2-8H2,1H3,(H,12,13);2*1H |
| InChI Key | AGPZIQZBOIOKFE-UHFFFAOYSA-N |
| MDL Number | MFCD06800706 |
| Molecular Formula | C9H20Cl2N2O2 |
| Molecular Weight | 259.1733 |
| SMILES | Cl.Cl.CCN1CCN(CCC(O)=O)CC1 |
| Synonyms | 3-(4-ethylpiperazin-1-yl)propanoic acid dihydrochloride,
1185303-69-8,
3-(4-ETHYL-PIPERAZIN-1-YL)-PROPIONIC ACID DIHYDROCHLORIDE,
AC1Q3AAO,
C9H20Cl2N2O2,
CTK6F0331,
3-(4-Ethyl-piperazin-1-yl)-propionic aciddihydrochloride,
0513AD,
MFCD06800706,
AKOS008022803,
MCULE-5627485441,
NE13446,
TR-042643,
EN300-52297,
F2180-0022,
Z802671570,
3-(4-Ethyl-piperazin-1-yl)-propionic acid di hydrochloride,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.171g/mol |
| Monoisotopic Mass | 258.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number