- 2-Aminoimidazole
- 2-Aminoimidazole hemisulfate
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Cas Database |
| Name |
2-Aminoimidazole |
EINECS | 231-751-4 |
| CAS No. | 7720-39-0 | Density | 1.313 g/cm3 |
| PSA | 54.70000 | LogP | 0.57310 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C3H5N3 | Boiling Point | 313.1 °C at 760 mmHg |
| Molecular Weight | 83.0928 | Flash Point | 168.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
Imidazole,2-amino- (7CI,8CI);2-Amino-1H-imidazole;2-Imidazolamine; |
Article Data | 31 |
2-Aminoimidazole Synthetic route
- 42383-61-9
2-aminoimidazolesulfate
- 7720-39-0
1H-imidazol-2-amine
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In water Inert atmosphere; | 100% |
| With sodium hydroxide In methanol at 20℃; |
- 7720-39-0
1H-imidazol-2-amine
| Conditions | Yield |
|---|---|
| With hydrogen In ethanol at 20℃; | 98% |
| Conditions | Yield |
|---|---|
| With triethylamine In water at 80℃; for 4h; Inert atmosphere; Green chemistry; chemoselective reaction; | 91% |
| With palladium on activated charcoal; acetic acid In tert-butyl alcohol |
- 7720-39-0
1H-imidazol-2-amine
| Conditions | Yield |
|---|---|
| With methanol; sodium methylate at -78 - 20℃; for 4h; | 90% |
| With sodium carbonate In water at 20℃; for 0.25h; | |
| With sodium carbonate In water at 20℃; for 3h; |
- 1450-93-7, 36946-29-9, 42383-61-9
2-aminoimidazole hemisulfate
- 7720-39-0
1H-imidazol-2-amine
| Conditions | Yield |
|---|---|
| With sodium carbonate In water | 79% |
| With sodium hydroxide In water |
| Conditions | Yield |
|---|---|
| Stage #1: 2-methyl-isourea; 2,2-dimethoxyethylamine In water at 20 - 50℃; for 6h; Inert atmosphere; Stage #2: With hydrogenchloride In water at 90℃; for 10h; Inert atmosphere; | 74.9% |
| Conditions | Yield |
|---|---|
| With ammonium dihydrogen phosphate; ammonium bicarbonate In water at 60℃; for 1.5h; pH=Ca. 5.3; pH-value; | 41% |
- 7720-39-0
1H-imidazol-2-amine
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| With phosphoric acid; sodium formate In water-d2 Product distribution; Irradiation; acid reduction; | A 70 % Spectr. B n/a C 30 % Spectr. |
- 7720-39-0
1H-imidazol-2-amine
| Conditions | Yield |
|---|---|
| durch Reduktion; |
2-Aminoimidazole Specification
The systematic name of this chemical is 1H-imidazol-2-amine. With the CAS registry number 7720-39-0 and EINECS 231-751-4, it is also named as 2-Aminoimidazole. The product's category is Imidaxoles. In addition, the molecular weight is 83.09.
The other characteristics of 1H-Imidazol-2-amine can be summarized as: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.04; (4)ACD/LogD (pH 7.4): -2.03; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 23.01 cm3; (15)Molar Volume: 63.2 cm3; (16)Polarizability: 9.12×10-24 cm3; (17)Surface Tension: 76.1 dyne/cm; (18)Density: 1.313 g/cm3; (19)Flash Point: 168.9 °C; (20)Enthalpy of Vaporization: 55.42 kJ/mol; (21)Boiling Point: 313.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000506 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:n1ccnc1N
2. InChI:InChI=1/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
3. InChIKey:DEPDDPLQZYCHOH-UHFFFAOYAO
4. Std. InChI:InChI=1S/C3H5N3/c4-3-5-1-2-6-3/h1-2H,(H3,4,5,6)
5. Std. InChIKey:DEPDDPLQZYCHOH-UHFFFAOYSA-N
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