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| CAS No.: | 31407-74-6 |
|---|---|
| Name: | O-Ethylisourea hydrochloride |
| Molecular Structure: | |
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| Formula: | C3H8N2O.HCl |
| Molecular Weight: | 124.57 |
| Synonyms: | Pseudourea,2-ethyl-, hydrochloride (7CI);Pseudourea, 2-ethyl-, monohydrochloride (8CI);2-Ethylpseudourea hydrochloride;O-Ethylisourea hydrochloride; |
| EINECS: | 250-617-6 |
| Melting Point: | 99-101 °C |
| Boiling Point: | 95.3 °C at 760 mmHg |
| Flash Point: | 11.4 °C |
| PSA: | 59.10000 |
| LogP: | 1.51840 |
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- 852475-26-4MC1568
- 64-17-5
ethanol
- 420-04-2
CYANAMID
- 23918-45-8, 145059-61-6
cyanamide dihydrochloride
- 31407-74-6
O-ethyl-isourea hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 31407-74-6
O-ethyl-isourea hydrochloride
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| With sodium carbonate In dichloromethane at 20℃; for 16h; | 71% |
- 31407-74-6
O-ethyl-isourea hydrochloride
- 75-00-3
chloroethane
| Conditions | Yield |
|---|---|
| at 123 - 124℃; |
- 31407-74-6
O-ethyl-isourea hydrochloride
- 54953-43-4
O-ethyl-N-chloro-isourea
| Conditions | Yield |
|---|---|
| With sodium hypochlorite |
- 31407-74-6
O-ethyl-isourea hydrochloride
| Conditions | Yield |
|---|---|
| With sodium hypobromide |
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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