| CAS Number | 100500-89-8 |
| Catalog Number | AG00026B(AGN-PC-00MNP6) |
| Chemical Name | 2-Hydroxy-1-(1-piperazinyl)-1-propanone |
| IUPAC Name | 2-hydroxy-1-piperazin-1-ylpropan-1-one |
| InChI | InChI=1S/C7H14N2O2/c1-6(10)7(11)9-4-2-8-3-5-9/h6,8,10H,2-5H2,1H3 |
| InChI Key | JQRBBKFUEZDIRG-UHFFFAOYSA-N |
| MDL Number | MFCD11213712 |
| Molecular Formula | C7H14N2O2 |
| Molecular Weight | 158.1983 |
| SMILES | CC(C(N1CCNCC1)=O)O |
| Synonyms | 2-hydroxy-1-(piperazin-1-yl)propan-1-one,
100500-89-8,
2-Hydroxy-1-piperazin-1-yl-propan-1-one,
SCHEMBL5440196,
JQRBBKFUEZDIRG-UHFFFAOYSA-N,
MFCD11213712,
AKOS009345826,
NE15139,
AS-48541,
1-Propanone, 2-hydroxy-1-(1-piperazinyl)-,
Piperazine, 1-(2-hydroxy-1-oxopropyl)- (9CI),
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| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.201g/mol |
| Monoisotopic Mass | 158.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
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Certificate of Analysis
Lot Number