| CAS Number | 1255717-13-5 |
| Catalog Number | AG00J1GE(AGN-PC-0WB6ZR) |
| Chemical Name | [(1-ethyl-1H-imidazol-5-yl)methyl]amine dihydrochloride |
| IUPAC Name | (3-ethylimidazol-4-yl)methanamine;dihydrochloride |
| InChI | InChI=1S/C6H11N3.2ClH/c1-2-9-5-8-4-6(9)3-7;;/h4-5H,2-3,7H2,1H3;2*1H |
| InChI Key | JQXXUBCHSZSDDG-UHFFFAOYSA-N |
| MDL Number | MFCD09864332 |
| Molecular Formula | C6H13Cl2N3 |
| Molecular Weight | 198.0935 |
| SMILES | Cl.C(C)N1C=NC=C1CN.Cl |
| Synonyms | 1255717-13-5,
[(1-Ethyl-1H-imidazol-5-yl)methyl]amine dihydrochloride,
1-(1-Ethyl-1H-imidazol-5-yl)methanamine dihydrochloride,
(1-Ethyl-1H-imidazol-5-yl)methanamine dihydrochloride,
ZX-CM004391,
MFCD09864332,
AKOS027423169,
1-(1-Ethyl-1H-imidazol-5-yl)methanamine dihydrochloride, AldrichCPR,
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| Complexity | 84.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.091g/mol |
| Monoisotopic Mass | 197.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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