| CAS Number | 1258641-23-4 |
| Catalog Number | AG01AAI9 |
| Chemical Name | 2-tert-butyl-1H-1,3-benzodiazol-5-amine dihydrochloride |
| IUPAC Name | 2-tert-butyl-3H-benzimidazol-5-amine;dihydrochloride |
| InChI | InChI=1S/C11H15N3.2ClH/c1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;;/h4-6H,12H2,1-3H3,(H,13,14);2*1H |
| InChI Key | OTIZGLXXFNHIOW-UHFFFAOYSA-N |
| MDL Number | MFCD17167194 |
| Molecular Formula | C11H17Cl2N3 |
| Molecular Weight | 262.1788 |
| SMILES | Cl.Cl.CC(C1NC2=C(C=C(C=C2)N)N=1)(C)C |
| Synonyms | 2-tert-butyl-1H-1,3-benzodiazol-5-amine dihydrochloride,
1258641-23-4,
AC1Q3A4T,
NE36801,
EN300-68689,
|
| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.178g/mol |
| Monoisotopic Mass | 261.08g/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