| CAS Number | 389056-48-8 |
| Catalog Number | AG00C6UD(AGN-PC-0RHZ69) |
| Chemical Name | 4-(4-Acetylpiperazin-1-yl)-4-oxobutanoic acid |
| IUPAC Name | 4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid |
| InChI | InChI=1S/C10H16N2O4/c1-8(13)11-4-6-12(7-5-11)9(14)2-3-10(15)16/h2-7H2,1H3,(H,15,16) |
| InChI Key | RSAMZHWOFXKAGI-UHFFFAOYSA-N |
| MDL Number | MFCD03700407 |
| Molecular Formula | C10H16N2O4 |
| Molecular Weight | 228.2450 |
| SMILES | CC(=O)N1CCN(CC1)C(=O)CCC(=O)O |
| Synonyms | 4-(4-acetylpiperazin-1-yl)-4-oxobutanoic acid,
389056-48-8,
AC1Q1KDY,
AC1LGU10,
AQ-360/41714901,
MLS000773827,
SCHEMBL6499575,
CHEMBL1906181,
CTK7J2746,
RSAMZHWOFXKAGI-UHFFFAOYSA-N,
ZINC386722,
MFCD03700407,
AKOS000263321,
MCULE-7978053466,
NE12561,
SMR000364659,
EN300-13338,
4-(4-acetyl-1-piperazinyl)-4-oxobutanoic acid,
J-513449,
Z55148616,
CID851827,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.248g/mol |
| Monoisotopic Mass | 228.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number