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O-Ethylisourea hydrochloride

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Name

O-Ethylisourea hydrochloride

EINECS 250-617-6
CAS No. 31407-74-6 Density N/A
PSA 59.10000 LogP 1.51840
Solubility N/A Melting Point 99-101 °C
Formula C3H8N2O.HCl Boiling Point 95.3 °C at 760 mmHg
Molecular Weight 124.57 Flash Point 11.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 31407-74-6 (O-Ethylisourea hydrochloride) Hazard Symbols N/A
Synonyms

Pseudourea,2-ethyl-, hydrochloride (7CI);Pseudourea, 2-ethyl-, monohydrochloride (8CI);2-Ethylpseudourea hydrochloride;O-Ethylisourea hydrochloride;

 

O-Ethylisourea hydrochloride Synthetic route

64-17-5

ethanol

420-04-2

CYANAMID

23918-45-8, 145059-61-6

cyanamide dihydrochloride

31407-74-6

O-ethyl-isourea hydrochloride

64-17-5

ethanol

420-04-2

CYANAMID

31407-74-6

O-ethyl-isourea hydrochloride

Conditions
ConditionsYield
With hydrogenchloride
compound CH3SC(OC2H5)NH

compound CH3SC(OC2H5)NH

31407-74-6

O-ethyl-isourea hydrochloride

Conditions
ConditionsYield
With ethanol; ammonium chloride
31407-74-6

O-ethyl-isourea hydrochloride

79-22-1

methyl chloroformate

52234-95-4

N-Methoxycarbonyl-O-(ethyl)isoharnstoff

Conditions
ConditionsYield
With sodium hydroxide In dichloromethane; water for 2h; Ambient temperature;92%
31407-74-6

O-ethyl-isourea hydrochloride

55314-16-4, 75415-01-9, 123367-26-0

3-(N,N-dimethylamino)-1-(pyridin-3-yl)prop-2-en-1-one

2-ethoxy-4-(3-pyridyl)pyrimidine

Conditions
ConditionsYield
With sodium hydroxide In methanol at 65℃; for 8h; Temperature; Solvent;91.9%
1051379-48-6

3-ethoxy-spiro[3.5]nonan-1-one

31407-74-6

O-ethyl-isourea hydrochloride

4-cyclohexyl-2-ethoxypyrimidine

Conditions
ConditionsYield
Stage #1: O-ethyl-isourea hydrochloride With potassium phosphate In acetonitrile at 20℃; for 1h; Sealed tube;
Stage #2: 3-ethoxy-spiro[3.5]nonan-1-one With boron trifluoride diethyl etherate In acetonitrile at 80℃; for 18h; Sealed tube;
80%
31407-74-6

O-ethyl-isourea hydrochloride

2757-23-5

chloro(chlorosulfanyl)methanone

75465-39-3

ethoxy-3 thiadiazol-1,2,4 ol-5

Conditions
ConditionsYield
With sodium carbonate In dichloromethane at 20℃; for 16h;71%
31407-74-6

O-ethyl-isourea hydrochloride

75-00-3

chloroethane

Conditions
ConditionsYield
at 123 - 124℃;
31407-74-6

O-ethyl-isourea hydrochloride

54953-43-4

O-ethyl-N-chloro-isourea

Conditions
ConditionsYield
With sodium hypochlorite
31407-74-6

O-ethyl-isourea hydrochloride

O-ethyl-N-bromo-isourea

Conditions
ConditionsYield
With sodium hypobromide

O-Ethylisourea hydrochloride Specification

The CAS register number of Carbamimidic acid,ethyl ester, monohydrochloride (9CI) is 31407-74-6. It also can be called as O-Ethylisourea hydrochloride and the IUPAC name about this chemical is ethyl carbamimidate hydrochloride. The molecular formula about this chemical is C3H8N2O.HCl and the molecular weight is 124.57. It belongs to the Small molecule.

Physical properties about Carbamimidic acid,ethyl ester, monohydrochloride (9CI) are: (1)ACD/LogP: -0.32; (2)ACD/LogD (pH 5.5): -2.31; (3)ACD/LogD (pH 7.4): -2.22; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 15.48Å2; (12)Flash Point: 11.4 °C; (13)Enthalpy of Vaporization: 33.49 kJ/mol; (14)Boiling Point: 95.3 °C at 760 mmHg; (15)Vapour Pressure: 45.8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O(\C(=[NH2+])N)CC
(2)InChI: InChI=1/C3H8N2O.ClH/c1-2-6-3(4)5;/h2H2,1H3,(H3,4,5);1H
(3)InChIKey: TVHBMXJAQHVCSA-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C3H8N2O.ClH/c1-2-6-3(4)5;/h2H2,1H3,(H3,4,5);1H
(5)Std. InChIKey: TVHBMXJAQHVCSA-UHFFFAOYSA-N

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