| CAS Number | 1270488-52-2 |
| Catalog Number | AG01BAWK |
| Chemical Name | 1-(3,5-difluoropyridin-4-yl)ethan-1-amine |
| IUPAC Name | 1-(3,5-difluoropyridin-4-yl)ethanamine |
| InChI | InChI=1S/C7H8F2N2/c1-4(10)7-5(8)2-11-3-6(7)9/h2-4H,10H2,1H3 |
| InChI Key | SNTNAXQGPHXUJO-UHFFFAOYSA-N |
| MDL Number | MFCD18655288 |
| Molecular Formula | C7H8F2N2 |
| Molecular Weight | 158.1486 |
| SMILES | CC(C1=C(F)C=NC=C1F)N |
| Synonyms | 1-(3,5-difluoropyridin-4-yl)ethan-1-amine,
1270488-52-2,
AKOS006368380,
1-(3,5-difluoropyridin-4-yl)ethanamine,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.152g/mol |
| Monoisotopic Mass | 158.066g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
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