Specification: |
The 2,6,7,8-Tetrahydro-1H-indeno[5,4-b]furan-8-ylethylamine, with CAS registry number 448964-37-2, belongs to the following product categories: (1)Amines; (2)Aromatics; (3)Heterocycles. It has the systematic name of 2H-indeno[5,4-b]furan-8-amine, N-ethyl-1,6,7,8-tetrahydro-. Besides this, it is also called N-Ethyl-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-amine. And this chemical is a kind of colorless oil.
Physical properties of 2,6,7,8-Tetrahydro-1H-indeno[5,4-b]furan-8-ylethylamine: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.16; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.08; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 21.26 Å2; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 60.42 cm3; (14)Molar Volume: 180.7 cm3; (15)Polarizability: 23.95×10-24cm3; (16)Surface Tension: 44.2 dyne/cm; (17)Enthalpy of Vaporization: 55.86 kJ/mol; (18)Vapour Pressure: 0.000391 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCNC1CCc2c1c3c(cc2)OCC3
(2)InChI: InChI=1/C13H17NO/c1-2-14-11-5-3-9-4-6-12-10(13(9)11)7-8-15-12/h4,6,11,14H,2-3,5,7-8H2,1H3
(3)InChIKey: KOTMXKCFVRQXCL-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C13H17NO/c1-2-14-11-5-3-9-4-6-12-10(13(9)11)7-8-15-12/h4,6,11,14H,2-3,5,7-8H2,1H3
(5)Std. InChIKey: KOTMXKCFVRQXCL-UHFFFAOYSA-N
|