| CAS Number | 158878-54-7 |
| Catalog Number | AG01B9R9 |
| Chemical Name | 5-phenyl-1,2,3,6-tetrahydropyridine hydrochloride |
| IUPAC Name | 5-phenyl-1,2,3,6-tetrahydropyridine;hydrochloride |
| InChI | InChI=1S/C11H13N.ClH/c1-2-5-10(6-3-1)11-7-4-8-12-9-11;/h1-3,5-7,12H,4,8-9H2;1H |
| InChI Key | AERNNJNTNZDJDC-UHFFFAOYSA-N |
| MDL Number | MFCD28383964 |
| Molecular Formula | C11H14ClN |
| Molecular Weight | 195.6886 |
| SMILES | Cl.C1NCC(C2=CC=CC=C2)=CC1 |
| Synonyms | 5-phenyl-1,2,3,6-tetrahydropyridine hydrochloride,
158878-54-7,
SCHEMBL9252509,
Z2033454370,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.69g/mol |
| Monoisotopic Mass | 195.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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