| CAS Number | 1221725-99-0 |
| Catalog Number | AG01A7J3 |
| Chemical Name | 6-(1H-1,3-benzodiazol-1-yl)pyridine-3-carboximidamide dihydrochloride |
| IUPAC Name | 6-(benzimidazol-1-yl)pyridine-3-carboximidamide;dihydrochloride |
| InChI | InChI=1S/C13H11N5.2ClH/c14-13(15)9-5-6-12(16-7-9)18-8-17-10-3-1-2-4-11(10)18;;/h1-8H,(H3,14,15);2*1H |
| InChI Key | IAYMWMDOPYNPRF-UHFFFAOYSA-N |
| MDL Number | MFCD14705698 |
| Molecular Formula | C13H13Cl2N5 |
| Molecular Weight | 310.1818 |
| SMILES | Cl.Cl.NC(C1=CN=C(N2C3=C(C=CC=C3)N=C2)C=C1)=N |
| Synonyms | 6-(1H-1,3-benzodiazol-1-yl)pyridine-3-carboximidamide dihydrochloride,
1221725-99-0,
EN300-58885,
AC1Q3AQD,
CTK7D1915,
AKOS016904073,
MCULE-5965857410,
NE38982,
Z234894821,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.182g/mol |
| Monoisotopic Mass | 309.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number