| CAS Number | 1955519-77-3 |
| Catalog Number | AG01C5M9 |
| Chemical Name | 2-(pyridin-4-yl)ethanimidamide trihydrochloride |
| IUPAC Name | 2-pyridin-4-ylethanimidamide;trihydrochloride |
| InChI | InChI=1S/C7H9N3.3ClH/c8-7(9)5-6-1-3-10-4-2-6;;;/h1-4H,5H2,(H3,8,9);3*1H |
| InChI Key | BQXONIVHQBTIJW-UHFFFAOYSA-N |
| MDL Number | MFCD29991429 |
| Molecular Formula | C7H12Cl3N3 |
| Molecular Weight | 244.5493 |
| SMILES | Cl.Cl.Cl.NC(CC1=CC=NC=C1)=N |
| Synonyms | 2-(pyridin-4-yl)ethanimidamide trihydrochloride,
1955519-77-3,
EN300-264148,
Z2466331827,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 4 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.544g/mol |
| Monoisotopic Mass | 243.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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