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1123661-15-3

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Basic Information
CAS No.: 1123661-15-3
Name: 8-(Phenylmethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene
Article Data: 1
Molecular Structure:
Molecular Structure of 1123661-15-3 (8-(Phenylmethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene)
Formula: C20H28BNO2
Molecular Weight: 325.259
Synonyms: 8-Benzyl-8-azabicyclo[3.2.1]oct-2-ene-3-boronic acid pinacol ester;8-(Phenylmethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-2-ene;
Density: 1.08g/cm3
Boiling Point: 387.852 °C at 760 mmHg
Flash Point: 188.366 °C
PSA: 21.70000
LogP: 3.91900
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Specification

The 8-Benzyl-8-azabicyclo[3.2.1]oct-2-ene-3-boronic acid pinacol ester with cas registry number of 1123661-15-3, has the systematic name of 8-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene.

Physical properties about this chemical are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 21.7 Å2; (5)Index of Refraction: 1.556; (6)Molar Refractivity: 95.941 cm3; (7)Molar Volume: 298.684 cm3; (8)Polarizability: 38.034×10-24cm3; (9)Surface Tension: 39.672 dyne/cm; (10)Enthalpy of Vaporization: 63.698 kJ/mol; (11)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3CCC(C2)N3Cc4ccccc4;
(2)InChI: InChI=1/C20H28BNO2/c1-19(2)20(3,4)24-21(23-19)16-12-17-10-11-18(13-16)22(17)14-15-8-6-5-7-9-15/h5-9,12,17-18H,10-11,13-14H2,1-4H3;
(3)InChIKey: AQWMRAYHNZESJP-UHFFFAOYAV;
(4)Std. InChI: InChI=1S/C20H28BNO2/c1-19(2)20(3,4)24-21(23-19)16-12-17-10-11-18(13-16)22(17)14-15-8-6-5-7-9-15/h5-9,12,17-18H,10-11,13-14H2,1-4H3;
(5)Std. InChIKey: AQWMRAYHNZESJP-UHFFFAOYSA-N