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918643-56-8

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Basic Information
CAS No.: 918643-56-8
Name: Dimethyl-{3-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yloxy]-propyl}-amine
Article Data: 5
Molecular Structure:
Molecular Structure of 918643-56-8 (Dimethyl-{3-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yloxy]-propyl}-amine)
Formula: C16H27BN2O3
Molecular Weight: 306.213
Synonyms: N,N-dimethyl-3-{[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxy}propan-1-amine;6-(3-N,N-Dimethylamino-propoxy)pyridine-3-boronic acid, pinacol ester;
Density: 1.04 g/cm3
Boiling Point: 406.5 °C at 760 mmHg
Flash Point: 199.7 °C
PSA: 43.82000
LogP: 1.71130
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Specification

The CAS registry number of 2-(3-N,N-Dimethylamino-propoxy)pyridine-5-boronic acid pinacol ester is 918643-56-8. The IUPAC name is N,N-dimethyl-3-{[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxy}propan-1-amine. In addition, the molecula formula is C16H27BN2O3 and the molecular weight is 306.2082.

Physical properties about 2-(3-N,N-Dimethylamino-propoxy)pyridine-5-boronic acid pinacol ester are: (1)#H bond acceptors: 5; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 43.82 Å2; (5)Index of Refraction: 1.501; (6)Molar Refractivity: 86.02 cm3; (7)Molar Volume: 291.7 cm3; (8)Polarizability: 34.1 ×10-24cm3; (9)Surface Tension: 37.6 dyne/cm; (10)Density: 1.04 g/cm3; (11)Flash Point: 199.7 °C; (12)Enthalpy of Vaporization: 65.83 kJ/mol; (13)Boiling Point: 406.5 °C at 760 mmHg; (14)Vapour Pressure: 8.07E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c2ccc(OCCCN(C)C)nc2
(2)InChI: InChI=1/C16H27BN2O3/c1-15(2)16(3,4)22-17(21-15)13-8-9-14(18-12-13)20-11-7-10-19(5)6/h8-9,12H,7,10-11H2,1-6H3
(3)InChIKey: QWJUJXPYTLOKRL-UHFFFAOYAT