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Name |
5-Ethyl-1-methyl-5-phenylhydantoin |
EINECS | N/A |
CAS No. | 5696-06-0 | Density | 1.154g/cm3 |
PSA | 49.41000 | LogP | 1.74020 |
Solubility | N/A | Melting Point |
210° |
Formula | C12H14 N2 O2 | Boiling Point | °Cat760mmHg |
Molecular Weight | 218.255 | Flash Point | °C |
Transport Information | N/A | Appearance | N/A |
Safety | Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes such as NOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Hydantoin,5-ethyl-1-methyl-5-phenyl- (6CI,7CI,8CI); 5-Ethyl-1-methyl-5-phenylhydantoin;Deltoin; Metetoin; Methetoin; N 3; NSC 524411 |
Article Data | 1 |
Molecule structure of 5-Ethyl-1-methyl-5-phenylhydantoin (CAS NO.5696-06-0):
IUPAC Name: 5-Ethyl-1-methyl-5-phenylimidazolidine-2,4-dione
Molecular Weight: 218.25176 g/mol
Molecular Formula: C12H14N2O2
Density: 1.154 g/cm3
Index of Refraction: 1.541
Molar Refractivity: 59.39 cm3
Molar Volume: 188.9 cm3
Polarizability: 23.54×10-24 cm3
Surface Tension: 40.1 dyne/cm
XLogP3-AA: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 218.105528
MonoIsotopic Mass: 218.105528
Topological Polar Surface Area: 49.4
Heavy Atom Count: 16
Complexity: 310
Canonical SMILES: CCC1(C(=O)NC(=O)N1C)C2=CC=CC=C2
InChI: InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)13-11(16)14(12)2/h4-8H,3H2,1-2H3,(H,13,15,16)
InChIKey: NEGMMKYAVYNLCG-UHFFFAOYSA-N
Classification Code of 5-Ethyl-1-methyl-5-phenylhydantoin (CAS NO.5696-06-0): Anticonvulsant; Drug / Therapeutic Agent
1. | orl-mus LD50:500 mg/kg | 29ZVAB Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,75. | ||
2. | orl-rbt LD50:1400 mg/kg | 29ZVAB Handbook of Analytical Toxicology ,Sunshine, I., ed.,Cleveland, OH.: Chemical Rubber Co.,1969,75. |
Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes such as NOx.
5-Ethyl-1-methyl-5-phenylhydantoin (CAS NO.5696-06-0) is also named as 2,4-Imidazolidinedione, 5-ethyl-1-methyl-5-phenyl- ; 5-24-08-00093 (Beilstein Handbook Reference) ; BRN 0206293 ; Deltoin ; Metetoin ; Metetoina ; Metetoina [DCIT] ; Metetoina [Spanish] ; Metetoine ; Metetoine [French] ; Metetoine [INN-French] ; Metetoinum ; Metetoinum [INN-Latin] ; Metetoinum [Latin] ; Methetoin ; N 3 ; NSC 524411 ; NSC-524411 ; UNII-8G09Z6AF2T .