1-(2-DIETHYLAMINOETHYL)PIPERAZINE

The CAS register number of 1-Piperazineethanamine,N,N-diethyl- is 4038-92-0. It also can be called as 1-(2-Diethylaminoethyl)piperazine and the IUPAC name about this chemical is N,N-diethyl-2-piperazin-1-ylethanamine. The molecular formula about this chemical is C₁₀H₂₃N₃ and the molecular weight is 185.31.

Physical properties about 1-Piperazineethanamine,N,N-diethyl- are: (1)ACD/LogP: 1.04; (2)ACD/LogD (pH 5.5): -3.06; (3)ACD/LogD (pH 7.4): -2.85; (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): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 9.72Ų; (12)Index of Refraction: 1.469; (13)Molar Refractivity: 56.94 cm³; (14)Molar Volume: 204.4 cm³; (15)Polarizability: 22.57x10^-24cm³; (16)Surface Tension: 30.8 dyne/cm; (17)Enthalpy of Vaporization: 48.24 kJ/mol; (18)Boiling Point: 245.3 °C at 760 mmHg; (19)Vapour Pressure: 0.0289 mmHg at 25°C.

Preparation: this chemical can be prepared by piperazine at heating. This reaction will need reagent conc. HX and solvent ethanol. The yield is about 73%.

Uses of 1-Piperazineethanamine,N,N-diethyl-: it can be used to produce acetic acid 4-[4-(2-diethylamino-ethyl)-piperazine-1-carbonyl]-phenyl ester; hydrochloride with 4-acetoxy-benzoyl chloride at temperature of -15 - -10 ℃. This reaction will need solvent diethyl ether with reaction time of 10 min. The yield is about 97%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. 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: N(CCN1CCNCC1)(CC)CC
(2)InChI: InChI=1/C10H23N3/c1-3-12(4-2)9-10-13-7-5-11-6-8-13/h11H,3-10H2,1-2H3
(3)InChIKey: PVYBFVZRZWESQN-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H23N3/c1-3-12(4-2)9-10-13-7-5-11-6-8-13/h11H,3-10H2,1-2H3
(5)Std. InChIKey: PVYBFVZRZWESQN-UHFFFAOYSA-N