| CAS Number | 1375473-13-4 |
| Catalog Number | AG00HV26(AGN-PC-0WCVQB) |
| Chemical Name | 2-(5-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride |
| IUPAC Name | 2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C10H12ClN3.2ClH/c1-14-9-3-2-7(11)6-8(9)13-10(14)4-5-12;;/h2-3,6H,4-5,12H2,1H3;2*1H |
| InChI Key | OTTQXARQBMOMRM-UHFFFAOYSA-N |
| MDL Number | MFCD21602789 |
| Molecular Formula | C10H14Cl3N3 |
| Molecular Weight | 282.5973 |
| SMILES | Cl.Cl.CN1C2=C(C=C(C=C2)Cl)N=C1CCN |
| Synonyms | 1375473-13-4,
2-(5-chloro-1-methyl-1H-1,3-benzodiazol-2-yl)ethan-1-amine dihydrochloride,
[2-(5-Chloro-1-methyl-1H-benzimidazol-2-yl)ethyl]amine dihydrochloride,
2-(5-chloro-1-methyl-1H-benzo[d]imidazol-2-yl)ethanamine dihydrochloride,
MFCD21602789,
AKOS030235885,
MCULE-3653426701,
NE55562,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.593g/mol |
| Monoisotopic Mass | 281.025g/mol |
| Rotatable Bond Count | 2 |
| 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