| CAS Number | 1311314-23-4 |
| Catalog Number | AG01AH61(AGN-PC-0WOVP7) |
| Chemical Name | (5-fluoro-1-methyl-1H-1,3-benzodiazol-2-yl)methanamine dihydrochloride |
| IUPAC Name | (5-fluoro-1-methylbenzimidazol-2-yl)methanamine;dihydrochloride |
| InChI | InChI=1S/C9H10FN3.2ClH/c1-13-8-3-2-6(10)4-7(8)12-9(13)5-11;;/h2-4H,5,11H2,1H3;2*1H |
| InChI Key | ATRLZXNWGHTKHC-UHFFFAOYSA-N |
| MDL Number | MFCD18483215 |
| Molecular Formula | C9H12Cl2FN3 |
| Molecular Weight | 252.1161 |
| SMILES | Cl.Cl.CN1C2=C(C=C(C=C2)F)N=C1CN |
| Synonyms | (5-fluoro-1-methyl-1H-1,3-benzodiazol-2-yl)methanamine dihydrochloride,
1311314-23-4,
AKOS008138582,
MCULE-5635086472,
NE59503,
EN300-73805,
Z1266854947,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.114g/mol |
| Monoisotopic Mass | 251.039g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number