| CAS Number | 69491-60-7 |
| Catalog Number | AG005XQU(AGN-PC-0TVSXA) |
| Chemical Name | 4-(Pyrimidin-5-yl)aniline |
| IUPAC Name | 4-pyrimidin-5-ylaniline |
| InChI | InChI=1S/C10H9N3/c11-10-3-1-8(2-4-10)9-5-12-7-13-6-9/h1-7H,11H2 |
| InChI Key | KLGWYEGXYIHINP-UHFFFAOYSA-N |
| MDL Number | MFCD06802518 |
| Molecular Formula | C10H9N3 |
| Molecular Weight | 171.1986 |
| SMILES | NC1=CC=C(C2=CN=CN=C2)C=C1 |
| Synonyms | 4-(pyrimidin-5-yl)aniline,
69491-60-7,
4-(5-Pyrimidinyl)aniline,
Benzenamine,4-(5-pyrimidinyl)-,
5-(4-Aminophenyl)pyrimidine,
SCHEMBL4966225,
CTK5D0151,
DTXSID10499007,
ZINC16947447,
AKOS004118719,
FS-6545,
MCULE-9450518787,
NE46498,
BB 0223615,
EN300-80527,
Z1270210788,
Benzenamine, 4-(5-pyrimidinyl)- (9CI),
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.203g/mol |
| Monoisotopic Mass | 171.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number