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O-Methylisourea hemisulfate

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Name

O-Methylisourea hemisulfate

EINECS 257-851-8
CAS No. 52328-05-9 Density N/A
PSA 201.18000 LogP 1.08060
Solubility 1000 g/L (20 °C) in water Melting Point 163-167 °C(lit.)
Formula 2(C2H6N2O).H2SO4 Boiling Point 66.9 °C at 760 mmHg
Molecular Weight 246.244 Flash Point 165.7 °C
Transport Information N/A Appearance white crystalline powder or powder
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 52328-05-9 (O-Methylisourea hemisulfate) Hazard Symbols Xi
Synonyms

methoxymethanimidamide;Bis(2-methylisouronium) sulphate;O-Methylisourea Sulfate;

 

O-Methylisourea hemisulfate Synthetic route

52328-05-9

O-methylisourea hemisulfate

2131-55-7

4-Chlorophenyl isothiocyanate

133252-65-0

O-methyl-1-(p-chlorophenyl)-2-thioisobiuret

Conditions
ConditionsYield
With potassium hydroxide In acetone for 0.5h; Heating;95%
52328-05-9

O-methylisourea hemisulfate

62414-75-9

2,3,4-tri-O-acetyl-α-D-arabinopyranosyl isotyhiocyanate

77049-61-7

C14H21N3O8S

Conditions
ConditionsYield
With triethylamine In acetonitrile for 24h; Ambient temperature;93%

2-iminiomethylvinamidinium trichloride

52328-05-9

O-methylisourea hemisulfate

90905-32-1

2-methoxy-pyrimidine-5-carbaldehyde

Conditions
ConditionsYield
With potassium hydrogencarbonate In Isopropyl acetate; water at 20℃; for 40h;93%
52328-05-9

O-methylisourea hemisulfate

108-91-8

cyclohexylamine

6331-57-3, 14948-93-7, 62512-84-9

cyclohexyl-guanidine; sulfate

Conditions
ConditionsYield
In water a) 60 deg C, 2 h, b) r.t., overnight;91%
52328-05-9

O-methylisourea hemisulfate

14152-97-7

2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl isothiocyanate

77049-60-6

C17H25N3O10S

Conditions
ConditionsYield
With triethylamine In acetonitrile for 24h; Ambient temperature;89%
52328-05-9

O-methylisourea hemisulfate

645-36-3

2,2-diethoxy-ethanamine

1450-93-7, 36946-29-9, 42383-61-9

2-aminoimidazole hemisulfate

Conditions
ConditionsYield
Stage #1: O-methylisourea hemisulfate; 2,2-diethoxy-ethanamine In water at 50℃; for 4h;
Stage #2: With sulfuric acid In water at 100℃; for 2h; pH=2.5;
86%
52328-05-9

O-methylisourea hemisulfate

C2H6N2O*HN5

Conditions
ConditionsYield
With barium pentazolate In methanol; water at 20℃; for 6h;86%
52328-05-9

O-methylisourea hemisulfate

140175-93-5, 140175-94-6

(Z)-2-[4-(tert-Butyl-dimethyl-silanyloxy)-butyryl]-pentadec-2-enoic acid methyl ester

140176-04-1

methyl 6-<3-<(tert-butyldimethylsilyl)oxy>propyl>-4-dodecyl-1,4-dihydro-2-methoxypyrimidine-5-carboxylate

Conditions
ConditionsYield
With sodium hydrogencarbonate In N,N-dimethyl-formamide at 60℃; for 12h;79%
1121-60-4

pyridine-2-carbaldehyde

52328-05-9

O-methylisourea hemisulfate

141-97-9

ethyl acetoacetate

C14H17N3O3

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 70℃; for 3h; Inert atmosphere; Alkaline conditions;79%
52328-05-9

O-methylisourea hemisulfate

698386-24-2

(E)-1-(1'-deoxy-2',3':4',5'-di-O-isopropylidene-D-xylityl)-2,3,4,4,5,5,5-heptafluoropent-2-en-1-one

6-(1'-deoxy-2',3':4',5'-di-O-isopropylidene-D-xylityl)-5-fluoro-2-methoxy-4-(perfluoroethyl)pyrimidine

Conditions
ConditionsYield
With potassium hydroxide In dichloromethane at 20℃; for 24h;78%

O-Methylisourea hemisulfate Specification

The O-Methylisourea hemisulfate, with the CAS registry number 52328-05-9, is also known as Bis(2-methylisouronium) sulphate. Its EINECS number is 257-851-8. This chemical's molecular formula is 2(C2H6N2O).H2SO4 and formula weight is 246.24. What's more, its systematic name is called methyl carbamimidate sulfate (2:1). This chemical is white crystals or crystalline powder. When you are using this chemical, please be cautious about it, you should avoid contact it with your skin and eyes.

Physical properties of O-Methylisourea hemisulfate: (1)# of Rule of 5 Violations: 2; (2)#H bond acceptors: 10; (3)#H bond donors: 8; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 110.64 Å2; (6)Flash Point: 210.7 °C; (7)Melting Point: 163-167 °C(lit.); (8)Enthalpy of Vaporization: 74.5 kJ/mol; (9)Boiling Point: 424.7 °C at 760 mmHg; (10)Vapour Pressure: 2.1E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)O.[N@H]=C(OC)N.[N@H]=C(OC)N
(2)InChI: InChI=1/2C2H6N2O.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H3,3,4);(H2,1,2,3,4)
(3)InChIKey: QSCPQKVWSNUJLJ-UHFFFAOYAL

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