| CAS Number | 1803595-87-0 |
| Catalog Number | AG01B1C9(AGN-PC-0WOUZG) |
| Chemical Name | 2-(3,5-Dimethylphenyl)pyrrolidine hydrochloride |
| IUPAC Name | 2-(3,5-dimethylphenyl)pyrrolidine;hydrochloride |
| InChI | InChI=1S/C12H17N.ClH/c1-9-6-10(2)8-11(7-9)12-4-3-5-13-12;/h6-8,12-13H,3-5H2,1-2H3;1H |
| InChI Key | QPEZQRMAVIUWJM-UHFFFAOYSA-N |
| MDL Number | MFCD27980890 |
| Molecular Formula | C12H18ClN |
| Molecular Weight | 211.7310 |
| SMILES | CC1=CC(C)=CC(C2NCCC2)=C1.[H]Cl |
| Synonyms | 2-(3,5-dimethylphenyl)pyrrolidine hydrochloride,
1803595-87-0,
AKOS026744157,
NE56025,
AK-51071,
(2S)-2-(3,5-dimethylphenyl)pyrrolidine;hydrochloride,
(S)-2-(3,5-dimethylphenyl)pyrrolidine hydrochloride,
1245649-28-8,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.733g/mol |
| Monoisotopic Mass | 211.113g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number