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2-(1-Aminoethyl)furan-3,4-diyldimethanol

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Name

2-(1-Aminoethyl)furan-3,4-diyldimethanol

EINECS 239-128-9
CAS No. 15066-64-5 Density 1.248 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C8H13NO3 Boiling Point 219.8 °C at 760 mmHg
Molecular Weight 171.196 Flash Point 86.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 15066-64-5 (2-(1-aminoethyl)furan-3,4-diyldimethanol) Hazard Symbols N/A
Synonyms

2-(1-Aminoethyl)furan-3,4-diyldimethanol;

 

2-(1-Aminoethyl)furan-3,4-diyldimethanol 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

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