| CAS Number | 474397-16-5 |
| Catalog Number | AG00DNN9(AGN-PC-03R2IA) |
| Chemical Name | 4-(4-methylpyrimidin-2-yl)aniline |
| IUPAC Name | 4-(4-methylpyrimidin-2-yl)aniline |
| InChI | InChI=1S/C11H11N3/c1-8-6-7-13-11(14-8)9-2-4-10(12)5-3-9/h2-7H,12H2,1H3 |
| InChI Key | BTZGFOODEXURGK-UHFFFAOYSA-N |
| MDL Number | MFCD18330648 |
| Molecular Formula | C11H11N3 |
| Molecular Weight | 185.2251 |
| SMILES | CC1=NC(C2=CC=C(N)C=C2)=NC=C1 |
| Synonyms | 4-(4-methylpyrimidin-2-yl)aniline,
474397-16-5,
Benzenamine, 4-(4-methyl-2-pyrimidinyl)- (9CI),
SCHEMBL6325641,
CTK4I9971,
DTXSID20626786,
4-(4-Methyl-2-pyrimidinyl)aniline,
STL449813,
ZINC39121255,
AKOS012622906,
MCULE-9265748226,
NE29631,
EN300-78192,
BENZENAMINE, 4-(4-METHYL-2-PYRIMIDINYL)-,
Z1268152332,
Benzenamine,4- -,
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| 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
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Certificate of Analysis
Lot Number