(4-Methyl-piperazin-1-yl)-acetic acid

The (4-Methyl-piperazin-1-yl)-acetic acid, with the CAS registry number 54699-92-2, is also known as (4-Methyl-piperazin-1-yl)-acetic acid. It belongs to the product categories of Piperidine; Piperazines. This chemical's molecular formula is C₇H₁₄N₂O₂ and molecular weight is 158.105528. Its IUPAC name is called 2-(4-methylpiperazin-1-yl)acetic acid.

Physical properties of (4-Methyl-piperazin-1-yl)-acetic acid: (1)ACD/LogP: -0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.13; (4)ACD/LogD (pH 7.4): -3.13; (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): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.496; (13)Molar Refractivity: 41.17 cm³; (14)Molar Volume: 140.7 cm³; (15)Surface Tension: 40.7 dyne/cm; (16)Density: 1.123 g/cm³; (17)Flash Point: 122 °C; (18)Enthalpy of Vaporization: 56.86 kJ/mol; (19)Boiling Point: 278.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00117 mmHg at 25°C.

Uses of (4-Methyl-piperazin-1-yl)-acetic acid: it can be used to produce 2-(6-methoxy-naphthalen-2-yl)-proπonic acid 2-[(4-methyl-piperazin-1-yl)-acetoxy]-ethyl ester at temperature of 30 °C. This reaction is a kind of Esterification. It will need reagent DCC, DMAP and solvent CH₂Cl₂ with reaction time of 3 days. The yield is about 71%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1CCN(CC1)CC(=O)O
(2)InChI: InChI=1S/C7H14N2O2/c1-8-2-4-9(5-3-8)6-7(10)11/h2-6H2,1H3,(H,10,11)
(3)InChIKey: JCXZKUZXVQKENT-UHFFFAOYSA-N