| CAS Number | 930395-74-7 |
| Catalog Number | AG019KLM(AGN-PC-0WOS89) |
| Chemical Name | 3-(Pyridin-2-ylethynyl)aniline |
| IUPAC Name | 3-(2-pyridin-2-ylethynyl)aniline |
| InChI | InChI=1S/C13H10N2/c14-12-5-3-4-11(10-12)7-8-13-6-1-2-9-15-13/h1-6,9-10H,14H2 |
| InChI Key | FPKGDVGTWRHHDB-UHFFFAOYSA-N |
| MDL Number | MFCD09376388 |
| Molecular Formula | C13H10N2 |
| Molecular Weight | 194.2319 |
| SMILES | N1=C(C=CC=C1)C#CC=1C=C(N)C=CC1 |
| Synonyms | 3-[2-(pyridin-2-yl)ethynyl]aniline,
3-(pyridin-2-ylethynyl)aniline,
930395-74-7,
AC1Q51E8,
SCHEMBL2809759,
CTK7D8672,
ZINC12505506,
AKOS000118070,
MCULE-5759360475,
NE38673,
EN300-27425,
Z235345069,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.237g/mol |
| Monoisotopic Mass | 194.084g/mol |
| Rotatable Bond Count | 2 |
| 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
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Certificate of Analysis
Lot Number