| CAS Number | 298690-87-6 |
| Catalog Number | AG00BCNQ |
| Chemical Name | 2-(2,4-Dimethylphenyl)pyrrolidine |
| IUPAC Name | 2-(2,4-dimethylphenyl)pyrrolidine |
| InChI | InChI=1S/C12H17N/c1-9-5-6-11(10(2)8-9)12-4-3-7-13-12/h5-6,8,12-13H,3-4,7H2,1-2H3 |
| InChI Key | UOPALANXPTYMFE-UHFFFAOYSA-N |
| MDL Number | MFCD02663504 |
| Molecular Formula | C12H17N |
| Molecular Weight | 175.2701 |
| SMILES | CC1=CC(C)=C(C2NCCC2)C=C1 |
| Synonyms | 2-(2,4-dimethylphenyl)pyrrolidine,
298690-87-6,
2-(2,4-Dimethyl-phenyl)-pyrrolidine,
AC1N20YK,
SCHEMBL167408,
CTK6B6678,
UOPALANXPTYMFE-UHFFFAOYSA-N,
BBL020964,
MFCD02663504,
STK893670,
AKOS000160096,
AKOS016343563,
MCULE-4566149676,
(RS)-2-(2,4-dimethyl-phenyl)-pyrrolidine,
BB 0249531,
H8222,
CID3990120,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.275g/mol |
| Monoisotopic Mass | 175.136g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number