3-Aminopiperidine-2,6-dione hydrochloride (2686-86-4)

The IUPAC name of 3-Aminopiperidine-2,6-dione hydrochloride is 3-Aminopiperidine-2,6-dione hydrochloride. With the CAS registry number 2686-86-4, it is also named as Glutamic acid imide-DL-hydrochloride. In addition, its molecular formula is C₅H₉ClN₂O₂ and molecular weight is 164.59.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.31; (4)ACD/LogD (pH 7.4): -1.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 5.22; (9)H bond acceptors: 4; (10)H bond donors: 3; (11)Freely Rotating Bonds: 1; (12)Rotatable Bond Count: 0; (13)Tautomer Count: 14; (14)Exact Mass: 164.035255; (15)MonoIsotopic Mass: 164.035255; (16)Heavy Atom Count: 10; (17)Complexity: 155; (18)Polar Surface Area: 40.62 Å²; (19)Flash Point: 156.1 °C; (20)Enthalpy of Vaporization: 57.74 kJ/mol; (21)Boiling Point: 334.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000128 mmHg at 25 °C.

Uses of 3-Aminopiperidine-2,6-dione hydrochloride: it can react with 2-Bromo-benzoyl chloride to get 2-Bromo-N-(2,6-dioxo-piperidin-3-yl)-benzamide.



This reaction needs aq. Na₂CO₃ and Dioxane at temperature of 0-20 °C. The yield is 53 %.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C1NC(=O)C(N)CC1.Cl
(2)InChI:InChI=1/C5H8N2O2.ClH/c6-3-1-2-4(8)7-5(3)9;/h3H,1-2,6H2,(H,7,8,9);1H
(3)InChIKey:YCPULGHBTPQLRH-UHFFFAOYAG
(4)Std. InChI:InChI=1S/C5H8N2O2.ClH/c6-3-1-2-4(8)7-5(3)9;/h3H,1-2,6H2,(H,7,8,9);1H
(5)Std. InChIKey:YCPULGHBTPQLRH-UHFFFAOYSA-N