| CAS Number | 82160-27-8 |
| Catalog Number | AG01ALCC(AGN-PC-00LLD8) |
| Chemical Name | 3-Methyl-4-(pyridin-4-yl)aniline |
| IUPAC Name | 3-methyl-4-pyridin-4-ylaniline |
| InChI | InChI=1S/C12H12N2/c1-9-8-11(13)2-3-12(9)10-4-6-14-7-5-10/h2-8H,13H2,1H3 |
| InChI Key | XKXJJJZNTFAXFH-UHFFFAOYSA-N |
| MDL Number | MFCD12785840 |
| Molecular Formula | C12H12N2 |
| Molecular Weight | 184.2371 |
| SMILES | CC1=C(C2=CC=NC=C2)C=CC(N)=C1 |
| Synonyms | 3-methyl-4-(pyridin-4-yl)aniline,
82160-27-8,
SCHEMBL6997659,
ZINC39428183,
AKOS010309092,
Z2188171616,
Benzenamine, 3-methyl-4-(4-pyridinyl)-,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.242g/mol |
| Monoisotopic Mass | 184.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number