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CAS No.: | 6719-21-7 |
---|---|
Name: | 2-Amino-2-cyanoacetamide |
Molecular Structure: | |
Formula: | C3H5N3O |
Molecular Weight: | 99.0922 |
Synonyms: | 2-Amino-2-cyanoacetamide;Aminocyanacetamide;Aminocyanoacetamide;NSC 108868;α-Amino-α-cyanoacetamide;3-nitriloalaninamide;Acetamide, 2-amino-2-cyano-; |
EINECS: | 229-771-3 |
Density: | 1.298 g/cm3 |
Melting Point: | 120-124 °C |
Boiling Point: | 338.5 °C at 760 mmHg |
Flash Point: | 158.5 °C |
Solubility: | Soluble in water |
Appearance: | Beige Powder |
Hazard Symbols: | T; Xi |
Risk Codes: | 23-34 |
Safety: | 45-36/37/39-26 |
PSA: | 92.90000 |
LogP: | -0.27682 |
ethyl-2-aminocyano acetate
2-Amino-2-cyanoacetamide
Conditions | Yield |
---|---|
With ammonia In methanol at 0 - 5℃; for 1h; | 53.6% |
With diethyl ether; ammonia; water at 0℃; |
(E)-ethyl 2-cyano-2-(hydroxyimino)acetate
sodium hydrogencarbonate
2-Amino-2-cyanoacetamide
Conditions | Yield |
---|---|
In water | 13% |
2-Amino-2-cyanoacetamide
Conditions | Yield |
---|---|
With hydrogen; platinum In methanol; water; isopropyl alcohol | 1% |
Conditions | Yield |
---|---|
With nickel Hydrogenation; | |
With aluminium amalgam |
Conditions | Yield |
---|---|
With hydrogenchloride; ammonia; hydrogen; sodium nitrite In methanol; water; acetic acid |
Conditions | Yield |
---|---|
With ammonia In methanol; (2S)-N-methyl-1-phenylpropan-2-amine hydrate; toluene |
carbon disulfide
2-Amino-2-cyanoacetamide
5-amino-2-mercaptothiazole-4-carboxamide
Conditions | Yield |
---|---|
In methanol Reflux; | 95% |
Ethoxycarbonyl isothiocyanate
2-Amino-2-cyanoacetamide
Conditions | Yield |
---|---|
In ethyl acetate Reflux; | 92.3% |
With acetone |
ethyl 2-ethoxy-2-iminoacetate
2-Amino-2-cyanoacetamide
ethyl 4(5)amino-5(4)carbamoyl-imidazole-2-carboxylate
Conditions | Yield |
---|---|
Heating; | 92% |
1-methyl-3-methylcarbamoyliminomethyl urea
2-Amino-2-cyanoacetamide
5-amino-N1-methyl-1H-imidazole-1,4-dicarboxamide
Conditions | Yield |
---|---|
With hydrogenchloride In water; acetonitrile at 20 - 25℃; for 24h; Solvent; Reagent/catalyst; | 90.5% |
With acetic acid In methanol at 20 - 25℃; for 18h; | 88.04% |
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The 2-Amino-2-cyanoacetamide, with the CAS registry number 6719-21-7 and EINECS registry number 229-771-3, has the systematic name of 3-nitriloalaninamide. It is a kind of beige powder, and belongs to the following product categories: Small molecule; Hydrocyanic acid derivatives; Various hydrocyanic acid derivatives. The molecular formula of this chemical is C3H5N3O. What's more, it is usually used as building block in chemical synthesis.
The physical properties of 2-Amino-2-cyanoacetamide are as following: (1)ACD/LogP: -1.66; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 47.34 Å2; (7)Index of Refraction: 1.512; (8)Molar Refractivity: 22.91 cm3; (9)Molar Volume: 76.2 cm3; (10)Polarizability: 9.08×10-24cm3; (11)Surface Tension: 69.5 dyne/cm; (12)Density: 1.298 g/cm3; (13)Flash Point: 158.5 °C; (14)Enthalpy of Vaporization: 58.19 kJ/mol; (15)Boiling Point: 338.5 °C at 760 mmHg; (16)Vapour Pressure: 9.78E-05 mmHg at 25°C.
Uses of 2-Amino-2-cyanoacetamide: It can react with 3-bromo-2-oxo-propionaldehyde oxime to produce 3-Amino-6-bromomethyl-2-carbamoylpyrazine 4-oxide. This reaction will need solvent acetic acid. The reaction time is 2 days with temperature of 25°C, and the yield is about 32%.
You should be cautious while dealing with this chemical. It is toxic by inhalation, and may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(N)C(=O)N
(2)InChI: InChI=1/C3H5N3O/c4-1-2(5)3(6)7/h2H,5H2,(H2,6,7)
(3)InChIKey: JRWAUKYINYWSTA-UHFFFAOYAT