2,3-CYCLOHEPTENOPYRIDINE

This chemical is called 5H-Cyclohepta[b]pyridine,6,7,8,9-tetrahydro-, and its systematic name is 6,7,8,9-Tetrahydro-5H-cyclohepta[b]pyridine. With the molecular formula of C₁₀H₁₃N, its molecular weight is 147.22. The CAS registry number of this chemical is 7197-96-8. Additionally, its product categories are Heterocyclic Compounds.

Other characteristics of the 5H-Cyclohepta[b]pyridine,6,7,8,9-tetrahydro- can be summarised as followings: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.94; (5)ACD/BCF (pH 5.5): 15.06; (6)ACD/BCF (pH 7.4): 99.72; (7)ACD/KOC (pH 5.5): 138.7; (8)ACD/KOC (pH 7.4): 918.29; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 45.74 cm³; (15)Molar Volume: 147.2 cm³; (16)Polarizability: 18.13×10^-24cm³; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 0.999 g/cm³; (19)Flash Point: 93.3 °C; (20)Enthalpy of Vaporization: 44.27 kJ/mol; (21)Boiling Point: 224.9 °C at 760 mmHg; (22)Vapour Pressure: 0.133 mmHg at 25°C.

Production method of this chemical: The 5H-Cyclohepta[b]pyridine,6,7,8,9-tetrahydro- could be obtained by the reactant of Cycloheptanonoxim-O-allylether . This reaction should be taken for 50 hours with the heating. The yield is 55 %.

Uses of this chemical: The 5H-Cyclohepta[b]pyridine,6,7,8,9-tetrahydro- could react with benzaldehyde, and obtain the 9-benzylidenecyclohepta[b]pyridine. This reaction needs the reagent of acetic anhydride. The yield is 40 %. In addition, this reaction should be taken for 124 hours. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: n1c2c(ccc1)CCCCC2
2.InChI: InChI=1/C10H13N/c1-2-5-9-6-4-8-11-10(9)7-3-1/h4,6,8H,1-3,5,7H2
3.InChIKey: CULUYAUTCSKQNM-UHFFFAOYAW