3-Methylimidazolidine-2,4-dione - CAS 6843-45-4
Catalog: |
BB056518 |
Product Name: |
3-Methylimidazolidine-2,4-dione |
CAS: |
6843-45-4 |
Synonyms: |
3-Methylhydantoin; 3-Methyl-2,4-imidazolidinedione; 1-Methyl-2,5-dioxoimidazolidine; 3-Methylimidazolidine-2,4-dione |
IUPAC Name: | 3-methylimidazolidine-2,4-dione |
Description: | 3-Methylimidazolidine-2,4-dione is a derivative of hydantoin (CAT# H675000) and can be useful in the design and synthesis of hydantoin derivatives with anticancer activity against human liver hepatocellular carcinoma HepG2 cells. It can also be useful in the preparation of hydantoin derivatives with anticonvulsant activity. |
Molecular Weight: | 114.1 |
Molecular Formula: | C4H6N2O2 |
Canonical SMILES: | CN1C(=O)CNC1=O |
InChI: | InChI=1S/C4H6N2O2/c1-6-3(7)2-5-4(6)8/h2H2,1H3,(H,5,8) |
InChI Key: | MZQQHYDUINOMDG-UHFFFAOYSA-N |
Storage: | 4°C |
References: | Lu, J., et al. Adv. Mater. Res. (Durnten-Zurich, Switz.), 893, 512 (2014); Wong, P. T. H., et al. Asia Pac. J. Pharmacol., 4, 107 (1989); Cortes, S., et al. J. Med. Chem., 28, 601 (1985). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.042927438 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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