| CAS Number | 1324077-08-8 |
| Catalog Number | AG00HSNB(AGN-PC-0WC663) |
| Chemical Name | 2-[1-(Propan-2-yl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride |
| IUPAC Name | 2-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C12H17N3.2ClH/c1-9(2)15-11-6-4-3-5-10(11)14-12(15)7-8-13;;/h3-6,9H,7-8,13H2,1-2H3;2*1H |
| InChI Key | SRWYVGXIYYPNML-UHFFFAOYSA-N |
| MDL Number | MFCD19103654 |
| Molecular Formula | C12H19Cl2N3 |
| Molecular Weight | 276.2054 |
| SMILES | Cl.Cl.CC(N1C2=C(C=CC=C2)N=C1CCN)C |
| Synonyms | 1324077-08-8,
2-(1-Isopropyl-1H-benzo[d]imidazol-2-yl)ethanamine dihydrochloride,
2-[1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride,
[2-(1-Isopropyl-1H-benzimidazol-2-yl)ethyl]aminedihydrochloride,
[2-(1-Isopropyl-1H-benzimidazol-2-yl)ethyl]amine dihydrochloride,
MFCD19103654,
AKOS027442958,
MCULE-3436996522,
EN300-77529,
2-(1-isopropyl-1,3-benzodiazol-2-yl)ethanamine dihydrochloride,
2-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;dihydrochloride,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.205g/mol |
| Monoisotopic Mass | 275.096g/mol |
| Rotatable Bond Count | 3 |
| 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