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2-(2,3-Dihydro-1,4-benzodioxin-6-yl)pyrrolidine

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Name

2-(2,3-Dihydro-1,4-benzodioxin-6-yl)pyrrolidine

EINECS N/A
CAS No. 524674-08-6 Density 1.154 g/cm3
PSA 30.49000 LogP 2.21110
Solubility N/A Melting Point N/A
Formula C12H15NO2 Boiling Point 318.7 °C at 760 mmHg
Molecular Weight 205.25 Flash Point 126.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 524674-08-6 (2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)pyrrolidine) Hazard Symbols N/A
Synonyms

(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine;BB_SC-4264;

 

2-(2,3-Dihydro-1,4-benzodioxin-6-yl)pyrrolidine 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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