Synonyms: | Hydantoin,1,3-bis(2-hydroxyethyl)-5,5-dimethyl- (8CI);1,3-Bis(2-hydroxyethyl)-5,5-dimethylhydantoin;1,3-Bis(hydroxyethyl)-5,5-dimethylhydantoin;1,3-Bis(b-hydroxyethyl)-5,5-dimethylhydantoin;Dantocol DHE;N,N'-Bis(2-hydroxyethyl)dimethylhydantoin; |
Specification: |
The 1,3-Bis(2-hydroxyethyl)-5,5-dimethylhydantoin, with the cas registry number 26850-24-8 and EINECS registry number 248-052-5, has the systematic name of 1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione. It is a kind of liquid, and the molecular formula of the chemical is C9H16N2O4.
The characteristics of this chemical are as followings: (1)ACD/LogP: -1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.75; (4)ACD/LogD (pH 7.4): -1.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.67; (8)ACD/KOC (pH 7.4): 2.67; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 59.08 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 52.27 cm3; (15)Molar Volume: 172.4 cm3; (16)Polarizability: 20.72×10-24cm3; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.254 g/cm3; (19)Flash Point: 169 °C; (20)Enthalpy of Vaporization: 69.57 kJ/mol; (21)Boiling Point: 355.8 °C at 760 mmHg; (22)Vapour Pressure: 1.73E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1N(C(=O)C(N1CCO)(C)C)CCO
(2)InChI: InChI=1/C9H16N2O4/c1-9(2)7(14)10(3-5-12)8(15)11(9)4-6-13/h12-13H,3-6H2,1-2H3
(3)InChIKey: ATIAIEWDRRJGSL-UHFFFAOYAH
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