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16228-00-5

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Basic Information
CAS No.: 16228-00-5
Name: 3-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione
Molecular Structure:
Molecular Structure of 16228-00-5 (3-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione)
Formula: C6H10N2O3
Molecular Weight: 158.1552
Synonyms: Hydantoin,3-(hydroxymethyl)-5,5-dimethyl- (8CI);3-Hydroxymethyl-5,5-dimethylhydantoin;3-Methylol-5,5-dimethylhydantoin;5,5-Dimethyl-3-(hydroxymethyl)-1,3-imidazolidine-2,4-dione;Monomethyloldimethylhydantoin;
EINECS: 240-352-4
Density: 1.257 g/cm3
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Specification

The 2,4-Imidazolidinedione,3-(hydroxymethyl)-5,5-dimethyl-, with CAS registry number 16228-00-5, has the systematic name of 3-(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione. Besides this, it is also called 4,4-Dimethyl-2,5-dioxo-1-imidazolidenemethanol. And the chemical formula of this chemical is C6H10N2O3.

Physical properties of 2,4-Imidazolidinedione,3-(hydroxymethyl)-5,5-dimethyl-: (1)ACD/LogP: -1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.22; (4)ACD/LogD (pH 7.4): -1.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.17; (8)ACD/KOC (pH 7.4): 4.79; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 36.56 cm3; (15)Molar Volume: 125.7 cm3; (16)Polarizability: 14.49×10-24cm3; (17)Surface Tension: 41.3 dyne/cm; (18)Density: 1.257 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(C(=O)NC1(C)C)CO
(2)InChI: InChI=1/C6H10N2O3/c1-6(2)4(10)8(3-9)5(11)7-6/h9H,3H2,1-2H3,(H,7,11)
(3)InChIKey: IVQCQIORBPXQGP-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C6H10N2O3/c1-6(2)4(10)8(3-9)5(11)7-6/h9H,3H2,1-2H3,(H,7,11)
(5)Std. InChIKey: IVQCQIORBPXQGP-UHFFFAOYSA-N