| CAS Number | 66162-29-6 |
| Catalog Number | AG00IBKH(AGN-PC-0LNAJ4) |
| Chemical Name | 2-(4-Chlorobenzyl)pyrrolidine |
| IUPAC Name | 2-[(4-chlorophenyl)methyl]pyrrolidine |
| InChI | InChI=1S/C11H14ClN/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3-6,11,13H,1-2,7-8H2 |
| InChI Key | IQGVUZCAENHORR-UHFFFAOYSA-N |
| MDL Number | MFCD02663506 |
| Molecular Formula | C11H14ClN |
| Molecular Weight | 195.6886 |
| SMILES | ClC1=CC=C(CC2NCCC2)C=C1 |
| Synonyms | 2-(4-chlorobenzyl)pyrrolidine,
66162-29-6,
2-[(4-chlorophenyl)methyl]pyrrolidine,
AC1NOII4,
SCHEMBL1443794,
IQGVUZCAENHORR-UHFFFAOYSA-N,
BBL020291,
KM0995,
MFCD02663506,
STK891484,
AKOS000181756,
AKOS016352675,
MCULE-9094611371,
2-(4-chlorobenzyl)pyrrolidine, AldrichCPR,
Pyrrolidine, 2-[(4-chlorophenyl)methyl]-, (-)-,
CID5138807,
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| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.69g/mol |
| Monoisotopic Mass | 195.081g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number