| CAS Number | 1803594-45-7 |
| Catalog Number | AG01BC8G |
| Chemical Name | 2-(aminomethyl)-1h-1,3-benzodiazole-5-carboxylic acid dihydrochloride |
| IUPAC Name | 2-(aminomethyl)-3H-benzimidazole-5-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C9H9N3O2.2ClH/c10-4-8-11-6-2-1-5(9(13)14)3-7(6)12-8;;/h1-3H,4,10H2,(H,11,12)(H,13,14);2*1H |
| InChI Key | VRNXUZGUCDXZDR-UHFFFAOYSA-N |
| MDL Number | MFCD28714744 |
| Molecular Formula | C9H11Cl2N3O2 |
| Molecular Weight | 264.1085 |
| SMILES | O=C(C1=CC=C2N=C(CN)NC2=C1)O.[H]Cl.[H]Cl |
| Synonyms | 1803594-45-7,
2-(aminomethyl)-1H-1,3-benzodiazole-5-carboxylic acid dihydrochloride,
2-(Aminomethyl)-1H-benzo[d]imidazole-6-carboxylic acid dihydrochloride,
AKOS027196481,
AKOS032946298,
Z2168499546,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.106g/mol |
| Monoisotopic Mass | 263.023g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number