1-ACETYLISONIPECOTOYL CHLORIDE

This chemical is called 1-Acetylisonipecotoyl chloride, and it can also be named as 4-Piperidinecarbonylchloride, 1-acetyl-. With the molecular formula of C₈H₁₂ClNO₂, its molecular weight is 189.64. The CAS registry number of this chemical is 59084-16-1. Additionally, its product categories are Heterocyclic Compounds; Neurochemicals.

Other characteristics of the 1-Acetylisonipecotoyl chloride can be summarised as followings: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): 0.46; (5)ACD/BCF (pH 5.5): 1.31; (6)ACD/BCF (pH 7.4): 1.31; (7)ACD/KOC (pH 5.5): 42.28; (8)ACD/KOC (pH 7.4): 42.28; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 45.25 cm³; (15)Molar Volume: 154.8 cm³; (16)Polarizability: 17.93×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.224 g/cm³; (19)Flash Point: 140.1 °C; (20)Enthalpy of Vaporization: 54.86 kJ/mol; (21)Boiling Point: 308 °C at 760 mmHg; (22)Vapour Pressure: 0.0007 mmHg at 25°C.

Uses of this chemical: The 1-Acetylisonipecotoyl chloride could react with 3,4-dimethoxy-phenethylamine, and obtain the 1-acetyl-πperidine-4-carboxylic acid [2-(3,4-dimethoxy-phenyl)-ethyl]-amide. This reaction needs the reagent of TEA, and the solvent of tetrahydrofuran. In addition, this reaction should be taken for 4 hours at the temperature of 80 °C.

When you are using this chemical, please be cautious about it as the following: This chemical causes burns.Wear suitable protective clothing, gloves and eye/face protection. 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: O=C(N1CCC(C(Cl)=O)CC1)C
2.InChI: InChI=1/C8H12ClNO2/c1-6(11)10-4-2-7(3-5-10)8(9)12/h7H,2-5H2,1H3
3.InChIKey: OHCPVLJEAHBMEG-UHFFFAOYAA