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| CAS No.: | 765-39-9 |
|---|---|
| Name: | 1-Aminopyrrole |
| Molecular Structure: | |
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| Formula: | C4H6N2 |
| Molecular Weight: | 82.105 |
| Synonyms: | Pyrrole,1-amino- (7CI,8CI);(1H-Pyrrol-1-yl)amine;1-Aminopyrrole;1-Pyrrolylamine;N-Aminopyrrole; |
| Density: | 1.08 g/cm3 |
| Melting Point: | 77-78 °C |
| Boiling Point: | 182.8 °C at 760 mmHg |
| Flash Point: | 64.3 °C |
| Hazard Symbols: | C |
| Risk Codes: | 10-34 |
| Safety: | 16-26-36 |
| PSA: | 30.95000 |
| LogP: | 0.78310 |
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Specification
The 1H-Pyrrol-1-amine is an organic compound with the formula C4H6N2. The IUPAC name of this chemical is pyrrol-1-amine. With the CAS registry number 765-39-9, it is also named as 1-Aminopyrrole. The product's categories are Functional Materials; Pyrroles (for Conduting Polymer Research); Reagents for Conducting Polymer Research.
Physical properties about 1H-Pyrrol-1-amine are: (1)ACD/LogP: 0.61; (2)ACD/LogD (pH 5.5): 0.61; (3)ACD/LogD (pH 7.4): 0.61; (4)ACD/BCF (pH 5.5): 1.72; (5)ACD/BCF (pH 7.4): 1.72; (6)ACD/KOC (pH 5.5): 51.23; (7)ACD/KOC (pH 7.4): 51.23; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 8.17 Å2; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 24.29 cm3; (14)Molar Volume: 75.3 cm3; (15)Polarizability: 9.63×10-24cm3; (16)Surface Tension: 45.1 dyne/cm; (17)Density: 1.08 g/cm3; (18)Flash Point: 64.3 °C; (19)Enthalpy of Vaporization: 41.9 kJ/mol; (20)Boiling Point: 182.8 °C at 760 mmHg; (21)Vapour Pressure: 0.797 mmHg at 25°C.
Preparation: this chemical can be prepared by N-pyrrol-1-yl-phthalimide. This reaction will need reagent hydrazine monohydrate, acetic acid and solvent methanol. The reaction time is 75 min by heating. The yield is about 65%.
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Uses of 1H-Pyrrol-1-amine: it can be used to produce 5-(pyrrol-1-ylcarbamoyl)-pent-2-ynoic acid methyl ester. It will need reagent DCC. The yield is about 80%.
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When you are using this chemical, please be cautious about it as the following:
It is flammable. Please keep away from sources of ignition - No smoking. Besides, this chemical can cause burns. When you are using it, wear suitable protective clothing. In case of 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: Nn1cccc1
(2)InChI: InChI=1/C4H6N2/c5-6-3-1-2-4-6/h1-4H,5H2
(3)InChIKey: YNZAFFFENDLJQG-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C4H6N2/c5-6-3-1-2-4-6/h1-4H,5H2
(5)Std. InChIKey: YNZAFFFENDLJQG-UHFFFAOYSA-N