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CAS No.: | 124-42-5 |
---|---|
Name: | Acetamidine hydrochloride |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C2H6N2.HCl |
Molecular Weight: | 94.544 |
Synonyms: | Acetamidine,hydrochloride (6CI,7CI);Acetamidine, monohydrochloride (8CI);Ethanimidamide,monohydrochloride (9CI);Acetamidinium chloride;Acetimidinium chloride;Ethanamidine hydrochloride;Ethanimidamide,hydrochloride;Methylamidine hydrochloride;SN 4455;a-Amino-a-iminoethanehydrochloride;Ethanimidamide, Monohydrochloride; |
EINECS: | 204-700-9 |
Density: | 1.03g/cm3 |
Melting Point: | 165-170 °C(lit.) |
Boiling Point: | 62.8 °C at 760 mmHg |
Flash Point: | 26.1 °C |
Solubility: | water: 1 g/mL |
Appearance: | white fine crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 49.87000 |
LogP: | 1.54430 |
Conditions | Yield |
---|---|
With ethanol; nickel at 60 - 80℃; under 22065.2 Torr; Hydrogenation; |
Conditions | Yield |
---|---|
With hydrogenchloride; ammonia In ethanol; water | |
With hydrogenchloride; ethanol |
Conditions | Yield |
---|---|
With hydrogenchloride |
ethanol
acetamide oxime
acetamidine hydrochloride
Conditions | Yield |
---|---|
at 60 - 80℃; under 22065.2 Torr; das Hydrochlorid.Hydrogenation; |
ethanol
ethyl acetimidate hydrochloride
ammonia
acetamidine hydrochloride
acetamide
hydrogenchloride
A
N-acetylacetamide
C
acetamidine hydrochloride
D
acetic acid
Conditions | Yield |
---|---|
beim Destillieren; |
Conditions | Yield |
---|---|
With ethanol; nickel at 60 - 80℃; under 22065.2 Torr; Hydrogenation; |
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The Ethanimidamide,hydrochloride (1:1), with CAS registry number 124-42-5, belongs to the following product categories: (1)Pharmaceutical Intermediates; (2)Straight chain compounds; (3)Fatty & Aliphatic Acids, Esters, Alcohols & Derivatives; (4)Pharmacetical; (5)Aliphatics; (6)Imines/Amidines; (7)Nitrogen Compounds; (8)Organic Building Blocks. It has the systematic name of (1E)-ethanimidamide hydrochloride (1:1). This chemical is a kind of white fine crystalline powder. What's more, its EINECS is 204-700-9.
Physical properties of Ethanimidamide,hydrochloride (1:1): (1)ACD/LogP: -1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.3; (4)ACD/LogD (pH 7.4): -3.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.6 Å2; (13)Enthalpy of Vaporization: 30.5 kJ/mol; (14)Vapour Pressure: 176 mmHg at 25°C.
Uses of Ethanimidamide,hydrochloride (1:1): it can be used to produce 2-methyl-6-phenyl-3H-pyrimidin-4-one. This reaction will need reagent aqueous-alcoholic NaOH-solution.
When you are using this chemical, please be cautious about it as the following:
The Ethanimidamide,hydrochloride (1:1) irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.[N@H]=C(N)C
(2)InChI: InChI=1/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
(3)InChIKey: WCQOBLXWLRDEQA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
(5)Std. InChIKey: WCQOBLXWLRDEQA-UHFFFAOYSA-N