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CAS No.: | 6851-81-6 |
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Name: | 1,5,5-Trimethylhydantoin |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H10 N2 O2 |
Molecular Weight: | 142.158 |
Synonyms: | Hydantoin,1,5,5-trimethyl- (6CI,7CI,8CI); 1,5,5-Trimethylhydantoin;1,5,5-Trimethylimidazolidine-2,4-dione; 3,4,4-Trimethyl-2,5-dioxoimidazolidine |
EINECS: | 229-945-9 |
Density: | 1.117 g/cm3 |
Melting Point: | 161 - 164 ºC |
Boiling Point: | 259.72°C (rough estimate) |
Solubility: | soluble in Water |
Appearance: | white to off-white crystalline powder. |
Hazard Symbols: | |
Risk Codes: | R36/37/38 |
Safety: | 26-36 |
PSA: | 49.41000 |
LogP: | 0.21330 |
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IUPAC Name: 1,5,5-Trimethylimidazolidine-2,4-dione
Canonical SMILES: CC1(C(=O)NC(=O)N1C)C
InChI: InChI=1S/C6H10N2O2/c1-6(2)4(9)7-5(10)8(6)3/h1-3H3,(H,7,9,10)
InChIKey: ZNYIPTYJBRGSSL-UHFFFAOYSA-N
Molecular Weight: 142.1558 g/mol
Molecular Formula: C6H10N2O2
XLogP3-AA: -0.3
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 0
Tautomer Count: 3
Exact Mass: 142.074228
MonoIsotopic Mass: 142.074228
Topological Polar Surface Area: 49.4
Heavy Atom Count: 10
Complexity: 198
EINECS: 229-945-9
Appearance: white to off-white crystalline powder
Melting Point: 161-164 °C(lit.)
Index of Refraction: 1.463
Molar Refractivity: 35.04 cm3
Molar Volume: 127.2 cm3
Surface Tension: 31.7 dyne/cm
Density: 1.117 g/cm3
Product Categories of 1,5,5-Trimethylhydantoin (CAS NO.6851-81-6): Miscellaneous; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Imidazolines / Imidazolidines
Hazard Codes: Xi,Xn
Risk Statements: 36/37/38-20/21/22
R36/37/38:Irritating to eyes, respiratory system and skin.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany of 1,5,5-Trimethylhydantoin (CAS NO.6851-81-6): 3
1,5,5-Trimethylhydantoin (CAS NO.6851-81-6), its Synonyms are 1,5,5-Trimethylimidazolidine-2,4-dione ; 2,4-Imidazolidinedione, 1,5,5-trimethyl- ; Hydantoin, 1,5,5-trimethyl- .