| CAS Number | 219121-67-2 |
| Catalog Number | AG00C36Z(AGN-PC-0QYF8M) |
| Chemical Name | 3-(1H-IMIDAZOL-4-YL)PYRIDINE DIHYDROCHLORIDE |
| IUPAC Name | 3-(1H-imidazol-5-yl)pyridine;dihydrochloride |
| InChI | InChI=1S/C8H7N3.2ClH/c1-2-7(4-9-3-1)8-5-10-6-11-8;;/h1-6H,(H,10,11);2*1H |
| InChI Key | UFDCPZIWTKLRKJ-UHFFFAOYSA-N |
| MDL Number | MFCD06797679 |
| Molecular Formula | C8H9Cl2N3 |
| Molecular Weight | 218.0832 |
| SMILES | [H]Cl.[H]Cl.C1(C2=CN=CN2)=CC=CN=C1 |
| Synonyms | 3-(1H-IMIDAZOL-4-YL)PYRIDINE DIHYDROCHLORIDE,
219121-67-2,
3-(1H-Imidazol-5-yl)pyridine dihydrochloride,
SCHEMBL369061,
CTK8H6281,
DTXSID60696524,
UFDCPZIWTKLRKJ-UHFFFAOYSA-N,
ACM219121672,
FT-0670299,
J-014352,
3-(1H-Imidazol-5-yl)pyridine--hydrogen chloride (1/2),
3-(1H-imidazol-5-yl)pyridine,dihydrochloride,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.081g/mol |
| Monoisotopic Mass | 217.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number