| CAS Number | 1619-36-9 |
| Catalog Number | AG00J2U9(AGN-PC-0IH1Z5) |
| Chemical Name | 1-(4-piperidinyl)-1,2-ethanediol hydrochloride |
| IUPAC Name | 1-piperidin-4-ylethane-1,2-diol;hydrochloride |
| InChI | InChI=1S/C7H15NO2.ClH/c9-5-7(10)6-1-3-8-4-2-6;/h6-10H,1-5H2;1H |
| InChI Key | NSUNHVAOZNKIFU-UHFFFAOYSA-N |
| MDL Number | MFCD22054854 |
| Molecular Formula | C7H16ClNO2 |
| Molecular Weight | 181.6604 |
| SMILES | N1CCC(C(CO)O)CC1.Cl |
| Synonyms | 1619-35-8,
SCHEMBL5729497,
MFCD22054854,
AKOS030255591,
1-(4-Piperidinyl)-1,2-ethanediol hydrochloride,
1-(PIPERIDIN-4-YL)ETHANE-1,2-DIOL HYDROCHLORIDE,
1619-36-9,
|
| Complexity | 91.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.66g/mol |
| Monoisotopic Mass | 181.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number