| CAS Number | 2044713-62-2 |
| Catalog Number | AG01BXJR |
| Chemical Name | 2-(aminomethyl)-1H-imidazole-4-carboxylic acid dihydrochloride |
| IUPAC Name | 2-(aminomethyl)-1H-imidazole-5-carboxylic acid;dihydrochloride |
| InChI | InChI=1S/C5H7N3O2.2ClH/c6-1-4-7-2-3(8-4)5(9)10;;/h2H,1,6H2,(H,7,8)(H,9,10);2*1H |
| InChI Key | MPMJJPJSPASPBC-UHFFFAOYSA-N |
| MDL Number | MFCD30487842 |
| Molecular Formula | C5H9Cl2N3O2 |
| Molecular Weight | 214.0499 |
| SMILES | Cl.Cl.NCC1NC=C(C(O)=O)N=1 |
| Synonyms | 2-(aminomethyl)-1H-imidazole-4-carboxylic acid dihydrochloride,
2044713-62-2,
F9995-2668,
Z2692095119,
2-(aminomethyl)-1H-imidazole-5-carboxylic acid dihydrochloride,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.046g/mol |
| Monoisotopic Mass | 213.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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