| CAS Number | 1426423-09-7 |
| Catalog Number | AG01B6UX |
| Chemical Name | 1-(1-Methyl-1H-imidazol-2-yl)ethan-1-amine dihydrochloride |
| IUPAC Name | 1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C6H11N3.2ClH/c1-5(7)6-8-3-4-9(6)2;;/h3-5H,7H2,1-2H3;2*1H |
| InChI Key | QDPMQWLLLDXFFM-UHFFFAOYSA-N |
| MDL Number | MFCD30342952 |
| Molecular Formula | C6H13Cl2N3 |
| Molecular Weight | 198.0935 |
| SMILES | Cl.Cl.CC(C1N(C)C=CN=1)N |
| Synonyms | 1426423-09-7,
1-(1-methyl-1H-imidazol-2-yl)ethan-1-amine dihydrochloride,
SCHEMBL14737787,
QDPMQWLLLDXFFM-UHFFFAOYSA-N,
Z2583036196,
1-(1-methyl-1H-imidazol-2-yl)-ethylamine dihydrochloride,
1-(1-methyl-1H-imidazol-2-yl)ethanamine dihydrochloride,
|
| Complexity | 94.3 |
| 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 | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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