Specification: |
The 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)pyrrolidine with its cas register number is 524674-08-6. The Systematic name about this chemical is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine.
Physical properties about 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)pyrrolidine are: (1)ACD/LogP: 1.45; (2)ACD/LogD (pH 5.5): -1.65; (3)ACD/LogD (pH 7.4): -1.29; (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): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 21.7Å2; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 57.01 cm3; (14)Molar Volume: 177.8 cm3; (15)Polarizability: 22.6x10-24cm3; (16)Surface Tension: 45.4 dyne/cm; (17)Enthalpy of Vaporization: 56.02 kJ/mol; (18)Vapour Pressure: 0.000356 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O1c2c(OCC1)cc(cc2)C3NCCC3
(2)InChI: InChI=1/C12H15NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h3-4,8,10,13H,1-2,5-7H2
(3)InChIKey: LSNPFVDQLTUQCE-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C12H15NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h3-4,8,10,13H,1-2,5-7H2
(5)Std. InChIKey: LSNPFVDQLTUQCE-UHFFFAOYSA-N
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