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| CAS No.: | 15066-64-5 |
|---|---|
| Name: | 2-(1-aminoethyl)furan-3,4-diyldimethanol |
| Molecular Structure: | |
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| Formula: | C8H13NO3 |
| Molecular Weight: | 171.196 |
| Synonyms: | 2-(1-Aminoethyl)furan-3,4-diyldimethanol; |
| EINECS: | 239-128-9 |
| Density: | 1.248 g/cm3 |
| Boiling Point: | 219.8 °C at 760 mmHg |
| Flash Point: | 86.7 °C |
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Specification
The 3,4-Furandimethanol,2-(1-aminoethyl)-, with the CAS registry number 15066-64-5, is also known as 2-(1-Aminoethyl)furan-3,4-diyldimethanol. Its EINECS registry number is 239-128-9. This chemical's molecular formula is C8H13NO3 and molecular weight is 171.09. What's more, its systematic name is called [2-(1-Aminoethyl)furan-3,4-diyl]dimethanol.
Physical properties about 3,4-Furandimethanol,2-(1-aminoethyl)- are: (1)ACD/LogP: -1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.46; (4)ACD/LogD (pH 7.4): -3.37; (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: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 34.84 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 44.54 cm3; (15)Molar Volume: 137.1 cm3; (16)Surface Tension: 54.5 dyne/cm; (17)Density: 1.248 g/cm3; (18)Flash Point: 86.7 °C; (19)Enthalpy of Vaporization: 48.22 kJ/mol; (20)Boiling Point: 219.8 °C at 760 mmHg; (21) Vapour Pressure: 0.0678 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OCc1c(occ1CO)C(N)C
(2) InChI: InChI=1/C8H13NO3/c1-5(9)8-7(3-11)6(2-10)4-12-8/h4-5,10-11H,2-3,9H2,1H3
(3) InChIKey: CXOGYHMVENOLIK-UHFFFAOYAK