CAS No.195140-86-4,6-ISOPROPOXYPYRIDINE-3-CARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	195140-86-4
Name:	6-ISOPROPOXYPYRIDINE-3-CARBONITRILE

Formula:	C₉H₁₀N₂O
Molecular Weight:	162.191
Synonyms:	6-Isopropoxynicotinonitrile;
Density:	1.088 g/cm³
Boiling Point:	265.459 °C at 760 mmHg
Flash Point:	114.346 °C
PSA:	45.91000
LogP:	1.74048

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Specification

The 3-Pyridinecarbonitrile,6-(1-methylethoxy)-, with the CAS registry number 195140-86-4, is also known as 6-Isopropoxynicotinonitrile. This chemical's molecular formula is C₉H₁₀N₂O and molecular weight is 162.1885. What's more, its systematic name is called 6-Isopropoxypyridine-3-carbonitrile.

Physical properties about 3-Pyridinecarbonitrile,6-(1-methylethoxy)- are: (1)ACD/LogP: 2.29; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.292; (4)ACD/LogD (pH 7.4): 2.292; (5)ACD/BCF (pH 5.5): 32.477; (6)ACD/BCF (pH 7.4): 32.478; (7)ACD/KOC (pH 5.5): 420.34; (8)ACD/KOC (pH 7.4): 420.349; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.91 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 44.722 cm³; (15)Molar Volume: 149.032 cm³; (16)Polarizability: 17.729×10^-24 cm³; (17)Surface Tension: 44.672 dyne/cm; (18)Density: 1.088 g/cm³; (19)Flash Point: 114.346 °C; (20)Enthalpy of Vaporization: 50.339 kJ/mol; (21)Boiling Point: 265.459 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)Oc1ccc(cn1)C#N
(2) InChI: InChI=1/C9H10N2O/c1-7(2)12-9-4-3-8(5-10)6-11-9/h3-4,6-7H,1-2H3
(3) InChIKey: JOGPZXCZAZFDHV-UHFFFAOYAV