| CAS Number | 705941-78-2 |
| Catalog Number | AG00FEB5(AGN-PC-0WBQ4O) |
| Chemical Name | 3-(4-acetylpiperazin-1-yl)propanoic acid |
| IUPAC Name | 3-(4-acetylpiperazin-1-yl)propanoic acid |
| InChI | InChI=1S/C9H16N2O3/c1-8(12)11-6-4-10(5-7-11)3-2-9(13)14/h2-7H2,1H3,(H,13,14) |
| InChI Key | PQMOJMGTJRRLHL-UHFFFAOYSA-N |
| MDL Number | MFCD04116700 |
| Molecular Formula | C9H16N2O3 |
| Molecular Weight | 200.2349 |
| SMILES | CC(N1CCN(CCC(O)=O)CC1)=O |
| Synonyms | 3-(4-acetylpiperazin-1-yl)propanoic Acid,
705941-78-2,
3-(4-acetyl-piperazin-1-yl)-propionic acid,
1-Piperazinepropanoic acid, 4-acetyl-,
AC1M0I6A,
SCHEMBL659239,
CTK7J4134,
PQMOJMGTJRRLHL-UHFFFAOYSA-N,
ZINC2456654,
SBB080832,
3-(4-acetylpiperazinyl)propanoic acid,
AKOS000276258,
MCULE-9578002233,
3-(4-Acetylpiperazin-1-yl)-propionic acid,
EN300-74519,
L-2313,
Z53116608,
F1929-0385,
CID2050699,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.238g/mol |
| Monoisotopic Mass | 200.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number