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| CAS No.: | 62009-47-6 |
|---|---|
| Name: | 2-aminopropanediamide |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C3H7N3O2 |
| Molecular Weight: | 117.107 |
| Synonyms: | 2-Aminopropanediamide; |
| EINECS: | 263-370-4 |
| Density: | 1.399 g/cm3 |
| Melting Point: | 180-185°C |
| Boiling Point: | 410.1 °C at 760 mmHg |
| Flash Point: | 201.8 °C |
| PSA: | 112.20000 |
| LogP: | -0.61480 |
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- 6829-40-9
aminomalonic acid diethyl ester
- 62009-47-6
2-aminopropanediamide
| Conditions | Yield |
|---|---|
| With ammonia In methanol at 80℃; | 100% |
| With ammonium chloride In water at 100℃; for 2h; | 87% |
| With ammonia In methanol at 60℃; for 19h; Product distribution / selectivity; Inert atmosphere; | 49% |
| With ethanol; ammonia |
- 13433-00-6
diethyl aminomalonate hydrochloride
- 62009-47-6
2-aminopropanediamide
| Conditions | Yield |
|---|---|
| With ammonia In methanol at 20℃; for 20h; Autoclave; | 95% |
| With ammonia In methanol for 1h; | 91% |
| Stage #1: diethyl aminomalonate hydrochloride With sodium hydrogencarbonate In water pH=> 7; Stage #2: With ammonia In methanol at 80℃; High pressure; | 73% |
- 14064-10-9
diethyl 2-chloromalonate
- 62009-47-6
2-aminopropanediamide
| Conditions | Yield |
|---|---|
| With ethanol; ammonia |
- 69645-51-8
2-nitromalonamide
- 62009-47-6
2-aminopropanediamide
| Conditions | Yield |
|---|---|
| With aluminium amalgam; ammonia |
- 62009-47-6
2-aminopropanediamide
| Conditions | Yield |
|---|---|
| With ammonia; water |
- 62009-47-6
2-aminopropanediamide
| Conditions | Yield |
|---|---|
| With hydrogen iodide durch Reduktion; |
| Conditions | Yield |
|---|---|
| Stage #1: 2-aminopropanediamide; di-tert-butyl dicarbonate In methanol at 0 - 4℃; for 1h; Stage #2: With triethylamine In methanol at 22 - 27℃; for 18h; pH=10-12; | 94.78% |
- 131543-46-9
Glyoxal
- 62009-47-6
2-aminopropanediamide
- 1237524-82-1
sodium 2-carbamoylpyrazine-3-hydroxylate
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at -10 - 22℃; for 4.66667h; | 92% |
| With lithium chloride; sodium hydroxide at 20℃; for 3.5h; Temperature; | 88.2% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at -10 - 22℃; for 4.67h; | 91.2% |
| Stage #1: Glyoxal; 2-aminopropanediamide In water at 90℃; for 3h; Stage #2: With ammonia; dihydrogen peroxide In water at 0 - 20℃; | 63% |
| With phosphoric acid; sodium hydroxide In water at 20 - 30℃; for 1.5h; | 118 g |
| With phosphoric acid; sodium hydroxide In aq. phosphate buffer; water at 20 - 30℃; for 1.5h; | 118 mg |
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Specification
The Propanediamide, 2-amino-, with the CAS registry number of 62009-47-6, is also known as 2-Azanylpropanediamide. Its EINECS registry number is 263-370-4. This chemical's molecular formula is C3H7N3O2 and molecular weight is 117.10658. What's more, its IUPAC name is 2-Aminopropanediamide.
Physical properties about Propanediamide, 2-amino- are: (1)ACD/LogP: -2.26; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.34; (4)ACD/LogD (pH 7.4): -2.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.15; (8)ACD/KOC (pH 7.4): 1.41; (9)#H bond acceptors: 5; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.86 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 26.57 cm3; (15)Molar Volume: 83.7 cm3; (16)Polarizability: 10.53×10-24 cm3; (17)Surface Tension: 74.7 dyne/cm; (18)Density: 1.399 g/cm3; (19)Flash Point: 201.8 °C; (20)Enthalpy of Vaporization: 66.23 kJ/mol; (21)Boiling Point: 410.1 °C at 760 mmHg; (22)Vapour Pressure: 6.19E-07 mmHg at 25 °C.
Uses: it can be used as reagent used in the synthesis of Imidazole derivatives. For example, it is used to produce 4, 5-Dimethyl-1H-imidazole-2-carboxamide at heating. The reaction time is 72 hours. The yield is about 46 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)C(N)C(=O)N
(2) InChI: InChI=1/C3H7N3O2/c4-1(2(5)7)3(6)8/h1H,4H2,(H2,5,7)(H2,6,8)
(3) InChIKey: GFQBSQXXHYLABK-UHFFFAOYAM