| CAS Number | 25219-43-6 |
| Catalog Number | AG002QYR(AGN-PC-0NCA4Y) |
| Chemical Name | 3-(Hydroxymethyl)-2-piperidinone |
| IUPAC Name | 3-(hydroxymethyl)piperidin-2-one |
| InChI | InChI=1S/C6H11NO2/c8-4-5-2-1-3-7-6(5)9/h5,8H,1-4H2,(H,7,9) |
| InChI Key | MCMKNOXDUBESOF-UHFFFAOYSA-N |
| MDL Number | MFCD13178823 |
| Molecular Formula | C6H11NO2 |
| Molecular Weight | 129.1570 |
| SMILES | O=C1NCCCC1CO |
| Synonyms | 3-(hydroxymethyl)piperidin-2-one,
3-(hydroxymethyl)-2-Piperidinone,
25219-43-6,
3-hydroxymethylpiperidin-2-one,
SCHEMBL2991311,
MCMKNOXDUBESOF-UHFFFAOYSA-N,
2-Piperidinone, 3-(hydroxymethyl)-,
AKOS006346873,
racemic 3-hydroxymethylpiperidin-2-one,
DB-023503,
FT-0708167,
Z1203732010,
CID10887933,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.159g/mol |
| Monoisotopic Mass | 129.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number