| CAS Number | 874774-04-6 |
| Catalog Number | AG019MH4(AGN-PC-0WOB3V) |
| Chemical Name | 4-(2-Methylpyrimidin-4-yl)aniline |
| IUPAC Name | 4-(2-methylpyrimidin-4-yl)aniline |
| InChI | InChI=1S/C11H11N3/c1-8-13-7-6-11(14-8)9-2-4-10(12)5-3-9/h2-7H,12H2,1H3 |
| InChI Key | UGDVEDDQRSXEOM-UHFFFAOYSA-N |
| MDL Number | MFCD03407420 |
| Molecular Formula | C11H11N3 |
| Molecular Weight | 185.2251 |
| SMILES | CC1=NC(C2=CC=C(N)C=C2)=CC=N1 |
| Synonyms | 4-(2-methylpyrimidin-4-yl)aniline,
874774-04-6,
AC1Q2OQR,
CTK7D7284,
SBB090296,
ZINC20283369,
AKOS022913089,
4-(2-methylpyrimidin-4-yl)phenylamine,
MCULE-7031778938,
NE57712,
EN300-36169,
Z367678610,
Benzenamine, 4-(2-methyl-4-pyrimidinyl),
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.23g/mol |
| Monoisotopic Mass | 185.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number