| CAS Number | 885468-60-0 |
| Catalog Number | AG019TNJ(AGN-PC-0VM9EL) |
| Chemical Name | 1-[4-(Pyridin-3-yl)phenyl]ethan-1-amine |
| IUPAC Name | 1-(4-pyridin-3-ylphenyl)ethanamine |
| InChI | InChI=1S/C13H14N2/c1-10(14)11-4-6-12(7-5-11)13-3-2-8-15-9-13/h2-10H,14H2,1H3 |
| InChI Key | OGGKRFGMVHUZQV-UHFFFAOYSA-N |
| MDL Number | MFCD12824206 |
| Molecular Formula | C13H14N2 |
| Molecular Weight | 198.2637 |
| SMILES | CC(C1=CC=C(C2=CC=CN=C2)C=C1)N |
| Synonyms | 1-[4-(pyridin-3-yl)phenyl]ethan-1-amine,
885468-60-0,
AKOS010254019,
MCULE-6849097156,
NE20456,
Z1324055653,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.269g/mol |
| Monoisotopic Mass | 198.116g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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