| CAS Number | 5528-19-8 |
| Catalog Number | AG00J194(AGN-PC-0WBCTU) |
| Chemical Name | [2-(1H-benzimidazol-2-yl)ethyl]ethylamine dihydrochloride |
| IUPAC Name | 2-(1H-benzimidazol-2-yl)-N-ethylethanamine;dihydrochloride |
| InChI | InChI=1S/C11H15N3.2ClH/c1-2-12-8-7-11-13-9-5-3-4-6-10(9)14-11;;/h3-6,12H,2,7-8H2,1H3,(H,13,14);2*1H |
| InChI Key | QXPRRUKBRQGUIM-UHFFFAOYSA-N |
| MDL Number | MFCD09701672 |
| Molecular Formula | C11H17Cl2N3 |
| Molecular Weight | 262.1788 |
| SMILES | N1C2=CC=CC=C2NC=1CCNCC.Cl.Cl |
| Synonyms | 5528-19-8,
N-[2-(1H-benzimidazol-2-yl)ethyl]-N-ethylamine dihydrochloride,
[2-(1H-Benzimidazol-2-yl)ethyl]ethylamine dihydrochloride,
ZX-CM003531,
MFCD11696361,
AKOS030246344,
MCULE-9435181543,
2-(1h-benzimidazol-2-yl)ethylethylamine dihydrochloride,
4010707-25G,
4010707-50G,
5528-14-3,
|
| Complexity | 172 |
| 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 | 4 |
| Topological Polar Surface Area | 40.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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