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1121-46-6

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Basic Information
CAS No.: 1121-46-6
Name: 2-FURAN-2-YL-ETHYLAMINE
Article Data: 31
Molecular Structure:
Molecular Structure of 1121-46-6 (2-FURAN-2-YL-ETHYLAMINE)
Formula: C6H9NO
Molecular Weight: 111.144
Synonyms: 2-Furanethylamine(6CI,7CI,8CI);2-(2-Aminoethyl)furan;2-(2-Furyl)ethylamine;2-Furylethylamine;[2-(Furan-2-yl)ethyl]amine;
Density: 1.022g/cm3
Melting Point: 204 °C
Boiling Point: 162.47 °C at 760 mmHg
Flash Point: 52.06 °C
PSA: 39.16000
LogP: 1.48110
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Specification

The 2-Aminoethylfuran, with cas registry number 1121-46-6, has the systematic name of 2-(furan-2-yl)ethanamine. And it is also called 2-Furanethanamine.

Physical properties about this chemical are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 39.16 Å2; (11)Index of Refraction: 1.494; (12)Molar Refractivity: 31.637 cm3; (13)Molar Volume: 108.723 cm3; (14)Polarizability: 12.542×10-24cm3; (15)Surface Tension: 36.309 dyne/cm; (16)Enthalpy of Vaporization: 39.903 kJ/mol; (17)Vapour Pressure: 2.163 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: c1cc(oc1)CCN
(2)InChI: InChI=1/C6H9NO/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
(3)InChIKey: ZQSLNSHMUQXSQJ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H9NO/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
(5)Std. InChIKey: ZQSLNSHMUQXSQJ-UHFFFAOYSA-N