| CAS Number | 1053071-17-2 |
| Catalog Number | AG01A8VS(AGN-PC-0WO6ZU) |
| Chemical Name | 2-({bicyclo[2.2.1]heptan-2-yl}methyl)pyrrolidine |
| IUPAC Name | 2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidine |
| InChI | InChI=1S/C12H21N/c1-2-12(13-5-1)8-11-7-9-3-4-10(11)6-9/h9-13H,1-8H2 |
| InChI Key | BMNFIOJZHXIOJO-UHFFFAOYSA-N |
| MDL Number | MFCD10451111 |
| Molecular Formula | C12H21N |
| Molecular Weight | 179.3018 |
| SMILES | C(C1C2CC(CC2)C1)C1NCCC1 |
| Synonyms | 2-{bicyclo[2.2.1]heptan-2-ylmethyl}pyrrolidine,
1053071-17-2,
AC1Q28N5,
CTK5J7470,
AKOS000156507,
AKOS025440152,
MCULE-8582607695,
NE38072,
EN300-62682,
2-({bicyclo[2.2.1]heptan-2-yl}methyl)pyrrolidine,
Z1262396048,
2-(bicyclo[2.2.1]heptan-2-ylmethyl)pyrrolidine,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.167g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.307g/mol |
| Monoisotopic Mass | 179.167g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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