| CAS Number | 1185299-14-2 |
| Catalog Number | AG00HELL(AGN-PC-0WBPGD) |
| Chemical Name | 1-[1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride |
| IUPAC Name | 1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C12H17N3.2ClH/c1-8(2)15-11-7-5-4-6-10(11)14-12(15)9(3)13;;/h4-9H,13H2,1-3H3;2*1H |
| InChI Key | NAHPQLFWXOPEDT-UHFFFAOYSA-N |
| MDL Number | MFCD11506441 |
| Molecular Formula | C12H19Cl2N3 |
| Molecular Weight | 276.2054 |
| SMILES | Cl.Cl.CC(N1C2=C(C=CC=C2)N=C1C(N)C)C |
| Synonyms | 1185299-14-2,
1-[1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride,
[1-(1-isopropyl-1H-benzimidazol-2-yl)ethyl]amine dihydrochloride,
1-(1-isopropyl-1h-benzoimidazol-2-yl)-ethylamine dihydrochloride,
CTK6A6046,
1-(1-Isopropyl-1H-benzoimidazol-2-yl)-ethylaminedihydrochloride,
0345AD,
MFCD11506441,
AKOS015845045,
MCULE-6503546698,
TR-055593,
EN300-80587,
1-(1-isopropyl-1,3-benzodiazol-2-yl)ethanamine dihydrochloride,
1-(1-Isopropyl-1H-benzoimidazol-2-yl)-ethylamine di hydrochloride,
C12H19Cl2N3,
|
| Complexity | 217 |
| 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 | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number