| CAS Number | 906745-77-5 |
| Catalog Number | AG01DK8M(AGN-PC-0BT3AQ) |
| Chemical Name | 4-(phenylethynyl)piperidine hydrochloride |
| IUPAC Name | 4-(2-phenylethynyl)piperidine;hydrochloride |
| InChI | InChI=1S/C13H15N.ClH/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13;/h1-5,13-14H,8-11H2;1H |
| InChI Key | YNWOVPGZXSAEIZ-UHFFFAOYSA-N |
| MDL Number | MFCD21604787 |
| Molecular Formula | C13H16ClN |
| Molecular Weight | 221.7258 |
| SMILES | N1CCC(CC1)C#Cc1ccccc1.Cl |
| Synonyms | 4-(phenylethynyl)piperidine hydrochloride,
654663-00-0,
4-(PHENYLETHYNYL)PIPERIDINE HCL,
906745-77-5,
SCHEMBL1532735,
DTXSID70726306,
YNWOVPGZXSAEIZ-UHFFFAOYSA-N,
MFCD21604787,
AKOS016844787,
DS-6969,
RL04490,
4-(2-phenylethynyl)piperidinehydrochloride,
AX8252986,
J-513813,
4-(Phenylethynyl)piperidine--hydrogen chloride (1/1),
F2147-2772,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.728g/mol |
| Monoisotopic Mass | 221.097g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number