3-CYANO-2-(N-BUTYLAMINO)PYRIDINE

The 3-Pyridinecarbonitrile,2-(butylamino)-, with the CAS registry number 74611-50-0, is also known as 2-(Butylamino)nicotinonitrile. It belongs to the product category of Heterocyclic Compounds. This chemical's molecular formula is C₁₀H₁₃N₃ and molecular weight is 175.2303. What's more, its systematic name is called 2-(Butylamino)pyridine-3-carbonitrile.

Physical properties about this chemical are: (1)ACD/LogP: 3.20; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 76; (6)ACD/BCF (pH 7.4): 76; (7)ACD/KOC (pH 5.5): 773; (8)ACD/KOC (pH 7.4): 775; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 48.71 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 51.287 cm³; (15)Molar Volume: 166.323 cm³; (16)Polarizability: 20.332×10^-24 cm³; (17)Surface Tension: 46.931 dyne/cm; (18)Density: 1.054 g/cm³; (19)Flash Point: 149.49 °C; (20)Enthalpy of Vaporization: 56.552 kJ/mol; (21)Boiling Point: 323.57 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 3-Pyridinecarbonitrile,2-(butylamino)-: this chemical can be prepared by 2-Chloro-nicotinonitrile and Butylamine.

This reaction needs solvent Propan-2-ol and heating. The yield is 95 %.

Uses of 3-Pyridinecarbonitrile,2-(butylamino)-: it is used to produce other chemicals. For example, it is used to produce 2-Butylamino-nicotinic acid.

The reaction occurs with reagent 32% Acide hydrochlorique and other condition of heating for 20 hours. The yield is 65 %.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cccnc1NCCCC
(2) InChI: InChI=1/C10H13N3/c1-2-3-6-12-10-9(8-11)5-4-7-13-10/h4-5,7H,2-3,6H2,1H3,(H,12,13)
(3) InChIKey: DZVGEWIXPIPSSJ-UHFFFAOYAI