Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,4-Imidazolidinedione, 3-methyl- |
EINECS | N/A |
CAS No. | 6843-45-4 | Density | 1.285 g/cm3 |
PSA | 49.41000 | LogP | -0.56530 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H6N2O2 | Boiling Point | N/A |
Molecular Weight | 114.104 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Hydantoin,3-methyl- (6CI,7CI,8CI);3-Methylhydantoin;3-Methylimidazolidine-2,4-dione; |
Article Data | 39 |
Conditions | Yield |
---|---|
With sodium methylate In methanol | 85% |
With hydrogenchloride In ethanol Heating; Yield given; | |
With sodium hydroxide In water Rate constant; Mechanism; other solvent, other base; | |
In methanol; water at 25℃; Rate constant; Mechanism; borax buffer (pH = 9.06, ionic strength 0.1), spectrophotometric measured; |
methyl {(methylcarbamoyl)amino}acetate
1-methylhydantoin
Conditions | Yield |
---|---|
With sodium methylate In methanol | 85% |
With sodium hydroxide In water Rate constant; Mechanism; other solvent, other base; |
2,4-imidazolidinedione
N,N-dimethylacetamide dimethyl acetal
1-methylhydantoin
Conditions | Yield |
---|---|
In toluene Heating; | 73% |
In toluene for 2h; Reflux; | 68% |
In toluene for 3h; Heating; | 62% |
In toluene at 110℃; for 2h; | 50% |
In toluene at 110℃; for 2h; |
Conditions | Yield |
---|---|
With sodium hydroxide Heating; | 55% |
With sodium hydroxide Behandeln mit Salzsaeure unter vermindertem Druck; |
Glyoxal
N-Methylurea
A
1-methyldiazolidine-2,4-dione
B
1-methylhydantoin
Conditions | Yield |
---|---|
With 1-hydroxyethylene-(1,1-diphosphonic acid) In water at 90℃; for 2h; Green chemistry; | A 55% B 25% |
Stage #1: Glyoxal With phosphorus pentoxide; water at 20℃; for 0.0833333h; Stage #2: N-Methylurea at 20℃; for 0.166667h; | A 45% B 20% |
4-hydroxy-1-methyl-2,5-dioxo-4-imidazolidinecarboxyureide
1-methylhydantoin
Conditions | Yield |
---|---|
With hydrogen iodide | 52% |
Conditions | Yield |
---|---|
Behandeln mit Salzsaeure unter vermindertem Druck; |
Conditions | Yield |
---|---|
With potassium hydroxide | |
With potassium tert-butylate In N,N-dimethyl-formamide at 20℃; for 24h; Cooling with ice; | 1.01 g |
1-methylhydantoin
Conditions | Yield |
---|---|
at 190℃; |
Conditions | Yield |
---|---|
With potassium hydroxide Behandeln des Reaktionsprodukts mit Quecksilberoxyd anschliessend mit Salzsaeure; |
The IUPAC name of 2,4-Imidazolidinedione, 3-methyl- is 3-methylimidazolidine-2,4-dione. With the CAS registry number 6843-45-4, it is also named as 3-Methylimidazolidine-2,4-dione. In addition, its molecular formula is C4H6N2O2 and molecular weight is 114.1026.
The other characteristics of 2,4-Imidazolidinedione, 3-methyl- can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 9.585; (5)ACD/KOC (pH 7.4): 9.184; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)XLogP3-AA: -0.9; (10)Rotatable Bond Count: 0; (11)Tautomer Count: 4; (12)Exact Mass: 114.042927; (13)MonoIsotopic Mass: 114.042927; (14)Topological Polar Surface Area: 49.4; (15)Heavy Atom Count: 8; (16)Complexity: 143; (17)Polar Surface Area: 49.41 Å2; (18)Index of Refraction: 1.491; (19)Molar Refractivity: 25.719 cm3; (20)Molar Volume: 88.799 cm3; (21)Polarizability: 10.196×10-24cm3; (22)Surface Tension: 41.558 dyne/cm; (23)Density: 1.285 g/cm3.
People can use the following data to convert to the molecule structure.
(1)SMILES: CN1C(=O)CNC1=O
(2)InChI: InChI=1/C4H6N2O2/c1-6-3(7)2-5-4(6)8/h2H2,1H3,(H,5,8)
(3)InChIKey: MZQQHYDUINOMDG-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C4H6N2O2/c1-6-3(7)2-5-4(6)8/h2H2,1H3,(H,5,8)
(5)Std. InChIKey: MZQQHYDUINOMDG-UHFFFAOYSA-N