| CAS Number | 1314903-19-9 |
| Catalog Number | AG00HSHL(AGN-PC-0WNQS6) |
| Chemical Name | 1-(1H-Imidazol-4(5)-yl)-ethylamine dihydrochloride |
| IUPAC Name | 1-(1H-imidazol-5-yl)ethanamine;dihydrochloride |
| InChI | InChI=1S/C5H9N3.2ClH/c1-4(6)5-2-7-3-8-5;;/h2-4H,6H2,1H3,(H,7,8);2*1H |
| InChI Key | HRTLCOMHKUZVMQ-UHFFFAOYSA-N |
| MDL Number | MFCD08668456 |
| Molecular Formula | C6H13Cl2N3 |
| Molecular Weight | 198.0935 |
| SMILES | Cl.Cl.N1C=NC(=C1)C(CC)N |
| Synonyms | 1-(1H-Imidazol-4-yl)ethanamine dihydrochloride,
1314903-19-9,
1-(1H-Imidazol-4(5)-yl)-ethylamine dihydrochloride,
SCHEMBL4754874,
MFCD08668456,
CS-0062144,
Z-6608,
1-(1H-imidazol-4-yl)ethan-1-amine dihydrochloride,
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| Complexity | 74.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.064g/mol |
| Monoisotopic Mass | 183.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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