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1,3,4,6-Tetrakis(methoxymethyl)glycoluril

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Name

1,3,4,6-Tetrakis(methoxymethyl)glycoluril

EINECS 241-480-3
CAS No. 17464-88-9 Density 1.244 g/cm3
Solubility Melting Point 90-110 °C
Formula C12H22N4O6 Boiling Point 454.674 °C at 760 mmHg
Molecular Weight 318.33 Flash Point 228.779 °C
Transport Information Appearance white crystal
Safety Risk Codes
Molecular Structure Molecular Structure of 17464-88-9 (1,3,4,6-Tetrakis(methoxymethyl)glycoluril) Hazard Symbols
Synonyms

Glycoluril,1,3,4,6-tetrakis(methoxymethyl)- (8CI);Glycoluril, tetrakis(methoxymethyl)-(6CI,7CI);Cymel 1174;MX 270;N,N',N'',N'''-Tetrakis(methoxymethyl)glycoluril;Nikalac MX 270;Nikalac N2702;Powderlink 1174;Tetrakis(methoxymethyl)glycoluril;Tetrakis(methoxymethyl)glyoxal diureine;Tetramethoxymethyl glycoluril;

 

1,3,4,6-Tetrakis(methoxymethyl)glycoluril Specification

The Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione,tetrahydro-1,3,4,6-tetrakis(methoxymethyl)-, with the CAS registry number 17464-88-9, is also known as Powderlink 1174. Its EINECS registry number is 241-480-3. This chemical's molecular formula is C12H22N4O6 and molecular weight is 318.33. What's more, its IUPAC name is 1,3,4,6-Tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione. This chemical is white crystal and can be used  in water treatment.

Physical properties about Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione,tetrahydro-1,3,4,6-tetrakis(methoxymethyl)- are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.129; (4)ACD/LogD (pH 7.4): 2.129; (5)ACD/BCF (pH 5.5): 24.428; (6)ACD/BCF (pH 7.4): 24.428; (7)ACD/KOC (pH 5.5): 342.821; (8)ACD/KOC (pH 7.4): 342.821; (9)#H bond acceptors: 10; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 84.02 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 75.314 cm3; (15)Molar Volume: 255.934 cm3; (16)Polarizability: 29.857 × 10-24cm3; (17)Surface Tension: 40.231 dyne/cm; (18)Density: 1.244 g/cm3; (19)Flash Point: 228.779 °C; (20)Enthalpy of Vaporization: 71.43 kJ/mol; (21)Boiling Point: 454.674 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C ; (23)Melting point: 90-110 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COCN1C2C(N(C1=O)COC)N(C(=O)N2COC)COC
(2) InChI: InChI=1S/C12H22N4O6/c1-19-5-13-9-10(15(7-21-3)11(13)17)16(8-22-4)12(18)14(9)6-20-2/h9-10H,5-8H2,1-4H3
(3) InChIKey: XGQJGMGAMHFMAO-UHFFFAOYSA-N

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