3-CHLORO-N-(3-QUINUCLIDINYL)BENZAMIDE

The Benzamide,N-1-azabicyclo[2.2.2]oct-3-yl-3-chloro-, with the CAS registry number 120570-07-2, is also known as 3-Chloro-n-(3-quinuclidinyl)benzamide. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Quinuclidines. This chemical's molecular formula is C₁₄H₁₇ClN₂O and molecular weight is 264.75. What's more, its systematic name is N-1-Azabicyclo[2.2.2]oct-3-yl-3-chlorobenzamide. It must be stored in airtight containers and placed in a dry, cool place. In addition, workshop should have exhaust device.

Physical properties about Benzamide,N-1-azabicyclo[2.2.2]oct-3-yl-3-chloro-are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.15; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2.24; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 23.55 Å²; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 72.14 cm³; (14)Molar Volume: 207.4 cm³; (15)Polarizability: 28.59×10^-24 cm³; (16)Surface Tension: 52.3 dyne/cm; (17)Density: 1.27 g/cm³; (18)Flash Point: 207.8 °C; (19)Enthalpy of Vaporization: 67.39 kJ/mol; (20)Boiling Point: 420.1 °C at 760 mmHg; (21)Vapour Pressure: 2.9E-07 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. As a chemical, it is irritating to eyes, respiratory system. In addition, during using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(c1)C(=O)NC3C2CCN(CC2)C3
(2)InChI: InChI=1/C14H17ClN2O/c15-12-3-1-2-11(8-12)14(18)16-13-9-17-6-4-10(13)5-7-17/h1-3,8,10,13H,4-7,9H2,(H,16,18)
(3)InChIKey: NFCKUDVYRHEVOM-UHFFFAOYAM