| CAS Number | 1609403-08-8 |
| Catalog Number | AG00J3G2(AGN-PC-0WB7D8) |
| Chemical Name | 2-(Piperidin-2-yl)acetic acid hydrate |
| IUPAC Name | 2-piperidin-2-ylacetic acid;hydrate |
| InChI | InChI=1S/C7H13NO2.H2O/c9-7(10)5-6-3-1-2-4-8-6;/h6,8H,1-5H2,(H,9,10);1H2 |
| InChI Key | IAEIWCIDASYYTM-UHFFFAOYSA-N |
| MDL Number | MFCD13194043 |
| Molecular Formula | C7H15NO3 |
| Molecular Weight | 161.1989 |
| SMILES | C(C1CCCCN1)C(O)=O.O |
| Synonyms | 2-Piperidinylacetic acid hydrate,
1609403-08-8,
MFCD13194043,
ZX-CM014706,
AKOS027426664,
2-(Piperidin-2-yl)acetic acid hydrate,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.201g/mol |
| Monoisotopic Mass | 161.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number