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Home> Encyclopedia > Hot Product Listed 2   > 2,4-Imidazolidinedione,1,3-bis(2-hydroxyethyl)-5,5-dimethyl-
26850-24-8 structure

2,4-Imidazolidinedione,1,3-bis(2-hydroxyethyl)-5,5-dimethyl-

Iupac Name:1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione
CAS No.:26850-24-8
EINECS(EC#): 248-052-5
Molecular Weight:216.237
Molecular Formula:C9H16N2O4 (isomer)
Names and Identifiers
Synonyms

1,3-bis(.beta.-hydroxyethyl)-5,5-dimethylhydantoin 1,3-bis(2-hydroxyethyl)-5,5-dimethyl-2,4-imidazolidinedione 1,3-bis(2-hydroxyethyl)-5,5-dimethylhydantoin 1,3-bis(2-hydroxyethyl)-5,5-dimethylimidazolidine-2,4-dione 1,3-Bis(b-hydroxyethyl)-5,5-dimethylhydantoin 1,3-bis(hydroxyethyl)-5,5-dimethylhydantoin 1,3-di(beta-hydroxyethyl)-5,5-dimethylhydantoin 1,3-di(hydroxyethyl)-5,5-dimethylhydantoin 2,4-imidazolidinedione, 1,3-bis(2-hydroxyethyl)-5,5-dimethyl- 20Y07BBS8T 3B1-003739 850b248 AC1L3LR2 AC1Q6F5D AK386153 AKOS027378636 ATIAIEWDRRJGSL-UHFFFAOYSA-N CTK8D8659 dantocol dhe dedm hydantoin di-(2-hydroxyethyl)-5,5-dimethyl hydantoin diethylol dimethyl hydantoin DTXSID0067260 einecs 248-052-5 HE046699 hydantoin, 1,3-bis(2-hydroxyethyl)-5,5-dimethyl- Hydantoin,1,3-bis(2-hydroxyethyl)-5,5-dimethyl- (8CI) KB-150105 MOLPORT-005-932-452 n,n'-bis(2-hydroxyethyl)dimethylhydantoin SC-51641 SCHEMBL476583 U844 unii-20y07bbs8t ZINC5762004

Inchi
InChI=1S/C9H16N2O4/c1-9(2)7(14)10(3-5-12)8(15)11(9)4-6-13/h12-13H,3-6H2,1-2H3
InChkey
ATIAIEWDRRJGSL-UHFFFAOYSA-N
Canonical Smiles
CC1(C(=O)N(C(=O)N1CCO)CCO)C
Properties
Density
1.254
Boiling Point
355.8°Cat760mmHg
Vapour
1.73E-06mmHg at 25°C
Refractive Index
1.518
Flash Point
169°C
HS Code
2933990090
Safety and Handling
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

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:216.237g/mol
  • Molecular Formula:C9H16N2O4
  • Compound Is Canonicalized:True
  • Exact Mass:216.111
  • Monoisotopic Mass:216.111
  • Complexity:277
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:81.1A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzOAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAACAAADIjhgAYDAAMAAgAI AAEQEAAAAAAAAAAAAAGIAACCUAAAACAUAAAIByKQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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