| CAS Number | 899425-95-7 |
| Catalog Number | AG00IFW9(AGN-PC-05707Z) |
| Chemical Name | 3-(4-Methylphenyl)pyrrolidine |
| IUPAC Name | 3-(4-methylphenyl)pyrrolidine |
| InChI | InChI=1S/C11H15N/c1-9-2-4-10(5-3-9)11-6-7-12-8-11/h2-5,11-12H,6-8H2,1H3 |
| InChI Key | ZHJRWNCIVYOGSJ-UHFFFAOYSA-N |
| MDL Number | MFCD11047386 |
| Molecular Formula | C11H15N |
| Molecular Weight | 161.2435 |
| SMILES | CC1=CC=C(C2CNCC2)C=C1 |
| Synonyms | 3-(p-Tolyl)pyrrolidine,
3-(4-methylphenyl)pyrrolidine,
899425-95-7,
AC1MRJ9L,
SCHEMBL14544196,
DTXSID90392769,
Pyrrolidine, 3-(4-methylphenyl)-,
4928AC,
MFCD11047386,
AKOS009157506,
NE47923,
DB-078555,
FT-0756744,
F2148-1381,
C11H15N,
CID3469089,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.248g/mol |
| Monoisotopic Mass | 161.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number