2-(Methylamino)imidazole - CAS 5146-52-1
Catalog: |
BB059966 |
Product Name: |
2-(Methylamino)imidazole |
CAS: |
5146-52-1 |
Synonyms: |
N-Methyl-1H-imidazol-2-amine |
IUPAC Name: | N-methyl-1H-imidazol-2-amine |
Description: | 2-(Methylamino)imidazole is used as a reagent in the synthesis of ZK 813039; a highly potent and orally available factor Xa inhibitor. 2-(Methylamino)imidazole is also used for radiation-damage protection in mice that were injected and exposed to X-rays. |
Molecular Weight: | 97.12 |
Molecular Formula: | C4H7N3 |
Canonical SMILES: | CNC1=NC=CN1 |
InChI: | InChI=1S/C4H7N3/c1-5-4-6-2-3-7-4/h2-3H,1H3,(H2,5,6,7) |
InChI Key: | ZYXHZCQMCOVXJW-UHFFFAOYSA-N |
References: | Ye, B., et al. J. Med. Chem., 50, 2967 (2007); Rinaldi, R., et al. Compt. Rend., 261, 570 (1965). |
Complexity: | 54.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 97.063997236 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 97.063997236 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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