| CAS Number | 15847-65-1 |
| Catalog Number | AG01FORH(AGN-PC-0Q7IMC) |
| Chemical Name | 1-Butanone, 1-(4-phenyl-4-piperidinyl)-, hydrochloride (1:1) |
| EC Number | 239-960-2 |
| IUPAC Name | 1-(4-phenylpiperidin-4-yl)butan-1-one;hydrochloride |
| InChI | InChI=1S/C15H21NO.ClH/c1-2-6-14(17)15(9-11-16-12-10-15)13-7-4-3-5-8-13;/h3-5,7-8,16H,2,6,9-12H2,1H3;1H |
| InChI Key | SABJIJOJSHRGSB-UHFFFAOYSA-N |
| MDL Number | MFCD00035301 |
| Molecular Formula | C15H22ClNO |
| Molecular Weight | 267.7943 |
| NSC Number | 57801 |
| SMILES | CCCC(=O)C1(CCNCC1)c1ccccc1.Cl |
| Synonyms | 1-(4-Phenylpiperidin-4-yl)butan-1-one hydrochloride,
15847-65-1,
EINECS 239-960-2,
AC1MI0BY,
1-(4-Phenylpiperidin-4-yl)butan-1-one HCl,
SCHEMBL1308247,
DTXSID10166429,
SABJIJOJSHRGSB-UHFFFAOYSA-N,
NSC57801,
NSC-57801,
4-butyryl-4-phenylpiperidine hydrochloride,
FT-0722196,
1-(4-phenylpiperidin-4-yl)-butan-1-one hydrochloride,
C15-H21-N-O.Cl-H,
CID3014910,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.797g/mol |
| Monoisotopic Mass | 267.139g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number