| CAS Number | 1197822-55-1 |
| Catalog Number | AG019WZH |
| Chemical Name | 2-(1H-1,3-benzodiazol-2-yl)-4-methylaniline dihydrochloride |
| IUPAC Name | 2-(1H-benzimidazol-2-yl)-4-methylaniline;dihydrochloride |
| InChI | InChI=1S/C14H13N3.2ClH/c1-9-6-7-11(15)10(8-9)14-16-12-4-2-3-5-13(12)17-14;;/h2-8H,15H2,1H3,(H,16,17);2*1H |
| InChI Key | LGICAKWQAMJYOA-UHFFFAOYSA-N |
| MDL Number | MFCD13195918 |
| Molecular Formula | C14H15Cl2N3 |
| Molecular Weight | 296.1950 |
| SMILES | Cl.Cl.CC1=CC(C2NC3=C(C=CC=C3)N=2)=C(N)C=C1 |
| Synonyms | 2-(1H-1,3-benzodiazol-2-yl)-4-methylaniline dihydrochloride,
1197822-55-1,
AC1Q3A7K,
CTK6B6929,
AKOS008105867,
MCULE-8329488306,
NE15716,
EN300-53612,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.195g/mol |
| Monoisotopic Mass | 295.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number