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2-Imidazolidinone,1,3-bis(hydroxymethyl)-

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  • Name 2-Imidazolidinone,1,3-bis(hydroxymethyl)-
  • EINECS205-264-2
  • CAS No. 136-84-5
  • Density1.398 g/cm3
  • PSA64.01000
  • LogP-1.50060
  • SolubilityN/A
  • Melting Point99 °C
  • FormulaC5H10N2O3
  • Boiling Point342.6 °C at 760 mmHg
  • Molecular Weight146.146
  • Flash Point161 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 136-84-5 (DIMETHYLOL ETHYLENE UREA)
  • Hazard SymbolsN/A
  • SynonymsN/A

2-Imidazolidinone,1,3-bis(hydroxymethyl)- Synthetic route

120-93-4

imidazolidone

50-00-0

formaldehyd

136-84-5

1,3-bis(hydroxymethyl)-imidazolidin-2-one

Conditions
ConditionsYield
With methanol; sodium hydroxide
461-72-3

2,4-imidazolidinedione

136-84-5

1,3-bis(hydroxymethyl)-imidazolidin-2-one

1107610-58-1

1,3-bis(2,4-dioxoimidazolidin-1-ylmethyl)imidazolidin-2-one

Conditions
ConditionsYield
With hydrogenchloride In methanol for 1h; Heating;71%
136-84-5

1,3-bis(hydroxymethyl)-imidazolidin-2-one

70-55-3

toluene-4-sulfonamide

924850-84-0

1,3-bis(p-toluenesulfonylaminomethyl)imidazolidin-2-one

Conditions
ConditionsYield
With hydrogenchloride In methanol for 1h; Heating;65%
60-35-5

acetamide

136-84-5

1,3-bis(hydroxymethyl)-imidazolidin-2-one

25538-42-5

1,3-bis(acetylaminomethyl)imidazolidin-2-one

Conditions
ConditionsYield
With hydrogenchloride In methanol for 1h; Heating;64%
136-84-5

1,3-bis(hydroxymethyl)-imidazolidin-2-one

80-73-9

1,3-dimethyl-2-imidazolidinone

Conditions
ConditionsYield
With sodium formate; potassium carbonate In formic acid63%
136-84-5

1,3-bis(hydroxymethyl)-imidazolidin-2-one

462-60-2

N-carbamoylglycine

1107610-61-6

C7H12N4O6

Conditions
ConditionsYield
With hydrogenchloride In methanol for 1h; Heating;63%
136-84-5

1,3-bis(hydroxymethyl)-imidazolidin-2-one

64-10-8

phenyl carbamate

18872-98-5

1,1'-methylene-bis(3-phenylurea)

Conditions
ConditionsYield
With hydrogenchloride In methanol for 1h; Heating;53%
136-84-5

1,3-bis(hydroxymethyl)-imidazolidin-2-one

55-21-0

benzamide

1107610-59-2

1,3-bis(benzoylaminomethyl)imidazolidin-2-one

Conditions
ConditionsYield
With hydrogenchloride In methanol for 1h; Heating;50%
98-10-2

benzenesulfonamide

136-84-5

1,3-bis(hydroxymethyl)-imidazolidin-2-one

1107610-60-5

1,3-bis(phenylsulfonylaminomethyl)imidazolidin-2-one

Conditions
ConditionsYield
With hydrogenchloride In methanol for 1h; Heating;42%
136-84-5

1,3-bis(hydroxymethyl)-imidazolidin-2-one

51-79-6

urethane

3693-53-6

N,N'-methanediyl-bis-carbamic acid diethyl ester

Conditions
ConditionsYield
With hydrogenchloride In methanol for 1h; Heating;17%

2-Imidazolidinone,1,3-bis(hydroxymethyl)- Specification

The 2-Imidazolidinone,1,3-bis(hydroxymethyl)-, with CAS registry number 136-84-5, has the systematic name of 1,3-bis(hydroxymethyl)imidazolidin-2-one. Besides this, it is also called N,N'-Dimethylol-N,N'-ethyleneurea. And the chemical formula of this chemical is C5H10N2O3. What's more, its EINECS is 205-264-2.

Physical properties of 2-Imidazolidinone,1,3-bis(hydroxymethyl)-: (1)ACD/LogP: -1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.62; (4)ACD/LogD (pH 7.4): -1.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.14; (8)ACD/KOC (pH 7.4): 3.14; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.01 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 33.55 cm3; (15)Molar Volume: 104.4 cm3; (16)Polarizability: 13.3×10-24cm3; (17)Surface Tension: 61.4 dyne/cm; (18)Density: 1.398 g/cm3; (19)Flash Point: 161 °C; (20)Enthalpy of Vaporization: 67.92 kJ/mol; (21)Boiling Point: 342.6 °C at 760 mmHg; (22)Vapour Pressure: 4.81E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(CO)CCN1CO
(2)InChI: InChI=1/C5H10N2O3/c8-3-6-1-2-7(4-9)5(6)10/h8-9H,1-4H2
(3)InChIKey: WVJOGYWFVNTSAU-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C5H10N2O3/c8-3-6-1-2-7(4-9)5(6)10/h8-9H,1-4H2
(5)Std. InChIKey: WVJOGYWFVNTSAU-UHFFFAOYSA-N

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