Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2,4-Imidazolidinedione,5-methyl-5-phenyl- |
EINECS | 229-928-6 |
CAS No. | 6843-49-8 | Density | 1.216 g/cm3 |
PSA | 58.20000 | LogP | 1.39880 |
Solubility | N/A | Melting Point |
199-201 °C(lit.) |
Formula | C10H10N2O2 | Boiling Point | 325.7°C (rough estimate) |
Molecular Weight | 190.202 | Flash Point | 9℃ |
Transport Information | N/A | Appearance | White crystalline powder |
Safety | 24/25 | Risk Codes | 22-36 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Hydantoin,5-methyl-5-phenyl- (6CI,7CI,8CI);(?à)-5-Methyl-5-phenylhydantoin;5-Methyl-5-phenylhydantoin;5-Methyl-5-phenylimidazolidine-2,4-dione;NSC 14839; |
Article Data | 26 |
The CAS register number of 2,4-Imidazolidinedione,5-methyl-5-phenyl- is 6843-49-8. It also can be called as 5-Methyl-5-phenylhydantoin and the systematic name about this chemical is 5-methyl-5-phenylimidazolidine-2,4-dione. The molecular formula about this chemical is C10H10N2O2 and the molecular weight is 190.2. It belongs to the following product categories which include Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Imidazolines/Imidazolidines and so on.
Physical properties about 2,4-Imidazolidinedione,5-methyl-5-phenyl- are: (1)ACD/LogP: 1.00; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 0.99; (4)ACD/BCF (pH 5.5): 3.38; (5)ACD/BCF (pH 7.4): 3.31; (6)ACD/KOC (pH 5.5): 83.25; (7)ACD/KOC (pH 7.4): 81.51; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 40.62 Å2; (12)Index of Refraction: 1.55; (13)Molar Refractivity: 49.85 cm3; (14)Molar Volume: 156.3 cm3; (15)Polarizability: 19.76x10-24cm3; (16)Surface Tension: 41.7 dyne/cm; (17)Density: 1.216 g/cm3.
Uses of 2,4-Imidazolidinedione,5-methyl-5-phenyl-: it can be used to produce -(1-amino-1-phenyl-ethyl)-5,5-dimethyl-5H-imidazol-4-yl]-dimethyl-amine with (3,3-dimethyl-3H-azirin-2-yl)-dimethyl-amine. This reaction will need reagent of acetonitrile. This reaction needs heating. The reaction time is 24 hours. The yield is about 71.5%.
When you are using this chemical, avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2NC(=O)NC2(c1ccccc1)C
(2)InChI: InChI=1/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)
(3)InChIKey: JNGWGQUYLVSFND-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)
(5)Std. InChIKey: JNGWGQUYLVSFND-UHFFFAOYSA-N
The toxicity data are as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 560mg/kg (560mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 4, Pg. 723, 1954. | |
rat | LDLo | intraperitoneal | 500mg/kg (500mg/kg) | Biochemical Pharmacology. Vol. 5, Pg. 108, 1960. |