| CAS Number | 1218463-60-5 |
| Catalog Number | AG00J2YF(AGN-PC-0WB6NY) |
| Chemical Name | 4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid dihydrochloride |
| IUPAC Name | 4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C7H9N3O2.2ClH/c11-7(12)5-1-4-6(2-8-5)10-3-9-4;;/h3,5,8H,1-2H2,(H,9,10)(H,11,12);2*1H |
| InChI Key | VQLBLCOABKEJKO-UHFFFAOYSA-N |
| MDL Number | MFCD28024809 |
| Molecular Formula | C7H11Cl2N3O2 |
| Molecular Weight | 240.0871 |
| SMILES | C12NC=NC=1CNC(C(O)=O)C2.Cl.Cl |
| Synonyms | 1218463-60-5,
4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid dihydrochloride,
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid dihydrochloride,
SCHEMBL3804263,
ZX-CM010909,
MFCD28024809,
AKOS023552834,
AKOS027426165,
MCULE-2794412069,
4085483-25G,
F1824-0006,
495-77-2,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.084g/mol |
| Monoisotopic Mass | 239.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number