CAS No.159565-88-5,4-Isopropylpyridine diphenylmethylboronate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	159565-88-5
Name:	4-Isopropylpyridine diphenylmethylboronate

Formula:	C₈H₁₁N
Synonyms:	4-(1-Methylethyl)pyridine;
Density:	0.913 g/cm³
Boiling Point:	177.146 °C at 760 mmHg
Flash Point:	54.823 °C

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Specification

The 4-Isopropylpyridine diphenylmethylboronate, with the CAS registry number of 159565-88-5, is also known as 4-(1-Methylethyl)pyridine. Its molecular formula is C₈H₁₁N and molecular weight is 121.1796. What's more, its systematic name is 4-(Propan-2-yl)pyridine.

Physical properties about the 4-Isopropylpyridine diphenylmethylboronate are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 2.314; (5)ACD/BCF (pH 5.5): 8.721; (6)ACD/BCF (pH 7.4): 33.492; (7)ACD/KOC (pH 5.5): 110.717; (8)ACD/KOC (pH 7.4): 425.178; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 38.529 cm³; (15)Molar Volume: 132.73 cm³; (16)Surface Tension: 32.317 dyne/cm; (17)Density: 0.913 g/cm³; (18)Flash Point: 54.823 °C; (19)Enthalpy of Vaporization: 39.648 kJ/mol; (20)Boiling Point: 177.146 °C at 760 mmHg; (21)Vapour Pressure: 1.421 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)c1ccncc1
(2) InChI: InChI=1/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3
(3) InChIKey: FRGXNJWEDDQLFH-UHFFFAOYAB