Online Database of Chemicals from Around the World
| Florida Center for Heterocyclic Compounds | USA | Inquire | ||
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+1 (352) 392-0554 | |||
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katritzky@chem.ufl.edu | |||
| Chemical manufacturer | ||||
| Otava Ltd. | Ukraine | Inquire | ||
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+380 (44) 522-2458 | |||
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order@otavachemicals.com | |||
| Chemical manufacturer since 1997 | ||||
| Name | 3-Methylcytosine |
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| Synonyms | 6-Amino-1-Methyl-Pyrimidin-2-One; 6-Amino-1-Methyl-2-Pyrimidinone; 2(1H)-Pyrimidinone, 4-Imino-3-Methyl- |
| Molecular Structure |  |
| Molecular Formula | C5H7N3O |
| Molecular Weight | 125.13 |
| CAS Registry Number | 4776-08-3 |
| SMILES | CN1C(=CC=NC1=O)N |
| InChI | 1S/C5H7N3O/c1-8-4(6)2-3-7-5(8)9/h2-3H,6H2,1H3 |
| InChIKey | KOLPWZCZXAMXKS-UHFFFAOYSA-N |
| Density | 1.346g/cm3 (Cal.) |
|---|---|
| Boiling point | 218.657°C at 760 mmHg (Cal.) |
| Flash point | 86.041°C (Cal.) |
| (1) | Lesley R. Rutledge, Holly F. Durst and Stacey D. Wetmore. Computational comparison of the stacking interactions between the aromatic amino acids and the natural or (cationic) methylated nucleobases, Phys. Chem. Chem. Phys., 2008, 10, 2801. |
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| List of Reports Available for 3-Methylcytosine |