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| CAS No.: | 2213-51-6 |
|---|---|
| Name: | 2,5-Bis(aminomethyl)furan |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C6H10N2O |
| Molecular Weight: | 126.158 |
| Synonyms: | 2,5-Furanbis(methylamine)(6CI,7CI,8CI); |
| Density: | 1.124 g/cm3 |
| Boiling Point: | 229.905 °C at 760 mmHg |
| Flash Point: | 92.844 °C |
| Appearance: | Liquid |
| PSA: | 65.18000 |
| LogP: | 1.59760 |
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Specification
The 2,5-Bis(aminomethyl)furan, with the CAS registry number 2213-51-6, is also known as 2,5-Furandimethanamine. This chemical's molecular formula is C6H10N2O and molecular weight is 126.16. What's more, its systematic name is 2,5-Furandiyldimethanamine.
Physical properties of 2,5-Bis(aminomethyl)furan are: (1)ACD/LogP: -0.879; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.97; (4)ACD/LogD (pH 7.4): -3.65; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 65.18 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 35.456 cm3; (15)Molar Volume: 112.204 cm3; (16)Polarizability: 14.056×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.124 g/cm3; (19)Flash Point: 92.844 °C; (20)Enthalpy of Vaporization: 46.653 kJ/mol; (21)Boiling Point: 229.905 °C at 760 mmHg; (22)Vapour Pressure: 0.07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NCc1ccc(CN)o1
(2)Std. InChI: InChI=1S/C6H10N2O/c7-3-5-1-2-6(4-8)9-5/h1-2H,3-4,7-8H2
(3)Std. InChIKey: VKLGKDZCKSMSHG-UHFFFAOYSA-N