| CAS Number | 885468-61-1 |
| Catalog Number | AG019TA4(AGN-PC-0VM9ER) |
| Chemical Name | 1-[4-(Pyridin-4-yl)phenyl]ethan-1-amine |
| IUPAC Name | 1-(4-pyridin-4-ylphenyl)ethanamine |
| InChI | InChI=1S/C13H14N2/c1-10(14)11-2-4-12(5-3-11)13-6-8-15-9-7-13/h2-10H,14H2,1H3 |
| InChI Key | KPBHYDOOJXDXBR-UHFFFAOYSA-N |
| MDL Number | MFCD12785853 |
| Molecular Formula | C13H14N2 |
| Molecular Weight | 198.2637 |
| SMILES | CC(C1=CC=C(C2=CC=NC=C2)C=C1)N |
| Synonyms | 1-[4-(pyridin-4-yl)phenyl]ethan-1-amine,
885468-61-1,
SCHEMBL9931515,
AKOS008145214,
MCULE-1530837202,
NE36702,
|
| Complexity | 179 |
| 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 | 1.8 |
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Certificate of Analysis
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